SCHEMBL9524015

SCHEMBL9524015

COc1ccc(-n2cc(C=S)nc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
HTT P42858 2/20 0.38
CUL4A Q13619 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5418012 0.70 PTGS2 (0.57) HPGDKMT2AMEN1TP53ALOX12
SCHEMBL9524003 0.66 MAPT (0.58) KMT2ATP53NPC1RAB9ALMNA
SCHEMBL10902105 0.65 CYP3A4 (0.66) HPGDKMT2AMEN1RAB9AMAPT
SCHEMBL11387427 0.65 CYP1A2 (0.53) KMT2ALMNASMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL5434406 0.65 PTGS2 (0.53) HPGDKMT2AMEN1TP53ALOX12
SCHEMBL1699007 0.65 PTGS2 (0.43) ALDH1A1PTGS2
SCHEMBL16044269 0.65 PTGS2 (0.59) HPGDSMN1; SMN2MAPTALDH1A1PTGS1
SCHEMBL2175491 0.65 PTGS2 (0.43) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL9375623 0.64
SCHEMBL16474715 0.64 ACHE (0.48) HPGDKMT2AMEN1TP53ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261004-B1 IMIDAZOLE DERIVATIVES AND THEIR SALTS, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES, AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-05-26 EP disclosed
US-5063229-A Antiinflammatory agents ROUSSEL ULCAF (FR) 1991-11-05 US disclosed
US-4895866-A Anti-inflammatory imidazole compounds ROUSSEL UCLAF (FR) 1990-01-23 US disclosed
US-4810828-A ANTIARTHRITIC, PSORIASIS ROUSSEL UCLAF (FR) 1989-03-07 US disclosed
EP-0261004-A2 Imidazole derivatives and their salts, process for their preparation, their use as medicines, and compositions containing them ROUSSEL-UCLAF (FR) 1988-03-23 EP disclosed