SCHEMBL7787074

SCHEMBL7787074

CC(C)(C)c1cc(-n2nc3ccc(Sc4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALOX5 P09917 3/20 0.35
PTGS2 P35354 3/20 0.35
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
MEN1 O00255 1/20 0.31
NR1I2 O75469 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK14 Q16539 1/20 0.31
BCL2 P10415 1/20 0.30
MCL1 Q07820 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8382806 0.94 NPC1 (0.35) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9266221 0.90 HSP90AA1 (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9254528 0.90 NPC1 (0.33) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9257974 0.90 NPC1 (0.31) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9268361 0.90 NPC1 (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9300410 0.89 NPC1 (0.47) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL30631657 0.89 NPC1 (0.47) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL24236676 0.87 NPC1 (0.35) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8958781 0.87 NPC1 (0.35) CYP3A4NPC1RAB9ALMNAPOLB
SCHEMBL22164133 0.84 NPC1 (0.41) CYP2C9CYP2C19NPC1RAB9ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516914-A Compositions stabilized with 5-thio-substituted benzotriazole UV-absorbers CIBA-GEIGY CORPORATION (US) 1996-05-14 US claimed
EP-0698637-A2 Polyurethanes stabilized with selected 5-substituted benzotriazole UV absorbers CIBA-GEIGY AG (CH) 1996-02-28 EP claimed
US-5410071-A Sulfiding with a thiophenolic compound or a thiophenolate in a polar solvent to form a stabilizers for polyphenylene sulfide against UV radiation PHILLIPS PETROLEUM COMPANY (US) 1995-04-25 US claimed
US-5319091-A Contacting sulfur-containing aromatic compound with hydroxyphenylbenzotriazole derivative in presence of polar organic compound, oxidizing formed aryl sulfide derivative to sulfone, sulfoxide or mixtures PHILLIPS PETROLEUM COMPANY (US) 1994-06-07 US claimed
EP-0599269-A1 Compositions comprising sulfur-containing derivatives of hydroxyphenylbenzotriazole and process therefor PHILLIPS PETROLEUM COMPANY (US) 1994-06-01 EP claimed
US-5278314-A N-Phenol-substituted benzotriazoles CIBA-GEIGY CORPORATION (US) 1994-01-11 US claimed
US-5274015-A And a polyarylene sulfide polymer PHILLIPS PETROLEUM COMPANY (US) 1993-12-28 US claimed
US-5268450-A Reating sodium hydrosulfide with a sulfur containing hydroxyphenylbenztriazole PHILLIPS PETROLEUM COMPANY (US) 1993-12-07 US claimed
EP-1144391-A1 ONE-POT PROCESS FOR THE PREPARATION OF 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLES Ciba SC Holding AG (CH) 2001-10-17 EP disclosed
WO-2000043376-A1 ONE-POT PROCESS FOR THE PREPARATION OF 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-07-27 WO disclosed
EP-0572554-B1 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLE UV-ABSORBERS AND STABILIZED COMPOSITIONS CIBA SC HOLDING AG (CH) 2000-05-10 EP disclosed
US-6040455-A REACTING A HALOBENZOTRIAZOLE COMPOUND WITH ALIPHATIC, PHENYLALKYL OR ARYL MERCAPTAN COMPOUND TO FORM 5-THIO SUBSTITUTED BENZOTRIAZOLE, OXIDIZING WITH HYDROGEN PEROXIDE TO FOR 5-SULFONE SUBSTITUED BENZOTRIAZOLE COMPOUND CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-03-21 US disclosed
US-5942626-A REACTING A 5-HALO-SUBSTITUTED BENZOTRIAZOLE WITH A MERCAPTO COMPOUND IN THE PRESENCE OF A GROUP 1A METAL OR GROUP 2A COMPOUND FORMING 5-THIO-SUBSTITUTED 2H-BENZOTRIAZOLES HAVING ENHANCED ABSORBANCE AT LONGER WAVELENGTHS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-24 US disclosed
US-5516914-A Compositions stabilized with 5-thio-substituted benzotriazole UV-absorbers CIBA-GEIGY CORPORATION (US) 1996-05-14 US disclosed
EP-0576527-A1 5-THIO-SUBSTITUTED BENZOTRIAZOLE UV-ABSORBERS AND STABILIZED COMPOSITIONS Ciba SC Holding AG (CH) 1994-01-05 EP disclosed
US-5274015-A And a polyarylene sulfide polymer PHILLIPS PETROLEUM COMPANY (US) 1993-12-28 US disclosed
EP-0572554-A1 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLE UV-ABSORBERS AND STABILIZED COMPOSITIONS Ciba SC Holding AG (CH) 1993-12-08 EP disclosed
US-5268450-A Reating sodium hydrosulfide with a sulfur containing hydroxyphenylbenztriazole PHILLIPS PETROLEUM COMPANY (US) 1993-12-07 US disclosed
WO-1992014718-A1 5-THIO-SUBSTITUTED BENZOTRIAZOLE UV-ABSORBERS AND STABILIZED COMPOSITIONS CIBA-GEIGY AG (CH) 1992-09-03 WO disclosed
WO-1992014717-A1 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLE UV-ABSORBERS AND STABILIZED COMPOSITIONS CIBA-GEIGY AG (CH) 1992-09-03 WO disclosed