SCHEMBL2431312

SCHEMBL2431312

COC(=O)c1sc2cc(CBr)ccc2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
LMNA P02545 3/20 0.52
GAA P10253 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPK1 P28482 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
MCL1 Q07820 2/20 0.49
PRNP P04156 1/20 0.49
TSHR P16473 1/20 0.49
PPARG P37231 1/20 0.49
HTT P42858 1/20 0.49
MAPK10 P53779 1/20 0.49
NCOA2 Q15596 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BCL2L1 Q07817 1/20 0.49
DYRK1A Q13627 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL8020988 0.87 CYP4F2 (0.54) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL12325629 0.86 MAPT (0.55) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL12325628 0.86 MAPT (0.52) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL8323119 0.83 MCL1 (0.66) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL5023563 0.83 MCL1 (0.70) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL14614991 0.81 MAPT (0.49) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL8412494 0.80 NPSR1 (0.74) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL9045796 0.79 MAPT (0.42) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL693146 0.79 BCKDK (0.68) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL12501358 0.79 MAPK1 (0.56) MAPTLMNAGAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750728-A TREATING AROMATIC METHYL COMPOUND DISSOLVED IN CHLOROBENZENE WITH N-BROMOSUCCINIMIDE CLARIANT GMBH (DE) 1998-05-12 US claimed
WO-2011109679-A2 INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-09-09 WO disclosed
WO-2011109679-A2 INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-09-09 WO disclosed
EP-1915369-A1 NOVEL SUBSTITUTED 1,2,3-T II AZOLYLMETHYL-BENZOTHIOPHENE OR -INDOLE AND THEIR USE AS LEUKOTIIENE BIOSYNTHESIS INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-30 EP disclosed
WO-2007016784-A1 NOVEL SUBSTITUTED 1,2,3-TΠAZOLYLMETHYL-BENZOTHIOPHENE OR -INDOLE AND THEIR USE AS LEUKOTΠENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-02-15 WO disclosed
WO-2007016784-A1 NOVEL SUBSTITUTED 1,2,3-TΠAZOLYLMETHYL-BENZOTHIOPHENE OR -INDOLE AND THEIR USE AS LEUKOTΠENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-02-15 WO disclosed
EP-0533058-B1 Imidazo-fused iso- and heterocycles as angiotensin II antagonists HOECHST AG (DE) 2003-08-20 EP disclosed
US-5750728-A TREATING AROMATIC METHYL COMPOUND DISSOLVED IN CHLOROBENZENE WITH N-BROMOSUCCINIMIDE CLARIANT GMBH (DE) 1998-05-12 US disclosed
US-5635525-A DIAGNOSTICS HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-03 US disclosed
US-5444068-A Imidazopyridine derivatives as angiotensin II receptor antagonists, pharmaceuticals, and treatment of hypertension therewith HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-22 US disclosed
EP-0533058-A1 Imidazo-fused iso- and heterocycles as angiotensin II antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed