SCHEMBL7787071

SCHEMBL7787071

CC(C)(C)c1cc(CCC(N)=O)cc(-n2nc3ccc(S(=O)(=O)c4ccccc4)cc3n2)c1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
GAA P10253 4/20 0.36
ACHE P22303 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
AGTR1 P30556 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE4B Q07343 2/20 0.35
PRMT1 Q99873 1/20 0.34
CNR2 P34972 1/20 0.34
NAMPT P43490 1/20 0.33
SFRP1 Q8N474 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL5834851 1.00 MAOB (0.37) MAOBMAOAGAAACHEKMT2A
SCHEMBL5627436 0.93 MAOB (0.38) MAOBMAOAGAAACHEKMT2A
SCHEMBL4822523 0.89 MAOB (0.40) MAOBMAOAGAAACHEKMT2A
SCHEMBL5834070 0.87 CNR2 (0.35) MAOBMAOAGAAACHEKMT2A
SCHEMBL19176292 0.86 GAA (0.45) MAOBMAOAGAAACHEKMT2A
SCHEMBL8049950 0.86 MAOB (0.36) MAOBMAOAGAAACHEKMT2A
SCHEMBL5834156 0.84 CNR2 (0.37) MAOBMAOAALDH1A1CNR2
SCHEMBL8050554 0.83 MAOB (0.38) MAOBMAOAGAAACHEKMT2A
SCHEMBL8050552 0.83 MAOB (0.38) MAOBMAOAGAAACHEKMT2A
SCHEMBL21586972 0.82 POLB (0.37) GAAKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572554-B1 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLE UV-ABSORBERS AND STABILIZED COMPOSITIONS CIBA SC HOLDING AG (CH) 2000-05-10 EP claimed
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 claimed
US-5977219-A Benzotriazole UV absorbers having enhanced durability CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-11-02 US claimed
EP-0572554-A1 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLE UV-ABSORBERS AND STABILIZED COMPOSITIONS Ciba SC Holding AG (CH) 1993-12-08 EP claimed
WO-1992014717-A1 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLE UV-ABSORBERS AND STABILIZED COMPOSITIONS CIBA-GEIGY AG (CH) 1992-09-03 WO 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-5280124-A Having a phenol structure in position 2 CIBA-GEIGY CORPORATION (US) 1994-01-18 US disclosed