SCHEMBL7785451

SCHEMBL7785451

CC(C)(C)c1cc(-n2nc3ccc([S+]([O-])c4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.35
ALOX5 P09917 2/20 0.34
PTGS2 P35354 2/20 0.34
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL9266779 0.90 MEN1 (0.35) NPC1RAB9APOLBHSP90AA1
SCHEMBL9270532 0.90 NPC1 (0.33) NPC1RAB9APOLBHSP90AA1
SCHEMBL8344918 0.84 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29708 0.83 NPC1 (0.49) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29350736 0.83 NPC1 (0.49) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL22606176 0.81 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL712969 0.81 NPC1 (0.38) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29706577 0.81 NPC1 (0.38) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7574013 0.81 CYP3A4 (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL22080465 0.80 NPC1 (0.37) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977219-A Benzotriazole UV absorbers having enhanced durability CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-11-02 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-5280124-A Having a phenol structure in position 2 CIBA-GEIGY CORPORATION (US) 1994-01-18 US claimed
US-5274015-A And a polyarylene sulfide polymer PHILLIPS PETROLEUM COMPANY (US) 1993-12-28 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
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-5436349-A Photostabilizers for polymers for radiation resistance CIBA-GEIGY CORPORATION (US) 1995-07-25 US disclosed
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 disclosed
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 disclosed
EP-0599269-A1 Compositions comprising sulfur-containing derivatives of hydroxyphenylbenzotriazole and process therefor PHILLIPS PETROLEUM COMPANY (US) 1994-06-01 EP disclosed
US-5280124-A Having a phenol structure in position 2 CIBA-GEIGY CORPORATION (US) 1994-01-18 US 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-1992014717-A1 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLE UV-ABSORBERS AND STABILIZED COMPOSITIONS CIBA-GEIGY AG (CH) 1992-09-03 WO disclosed