SCHEMBL7652317

SCHEMBL7652317

CC(C)c1ccc(-c2nc(Cl)c(C=O)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TYR P14679 2/20 0.43
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
GCGR P47871 1/20 0.41
PDE2A O00408 2/20 0.37
MAPK1 P28482 1/20 0.36
CHEK2 O96017 1/20 0.36
NOTUM Q6P988 1/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 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
SCHEMBL1422649 0.80 BTK (0.44) KDM4EALDH1A1HPGDMAPK13MAPK12
SCHEMBL11169092 0.79 AURKA (0.49) KDM4ETP53NPC1RAB9AMAPT
SCHEMBL5331158 0.75 MAPT (0.51) ALDH1A1HPGDMAPK13MAPK12MAPK11
SCHEMBL3029624 0.72 GSK3B (0.30) KDM4E
SCHEMBL2556371 0.71 TYR (0.43) KDM4EALDH1A1HPGDTYRMAPK13
SCHEMBL15730025 0.70 BTK (0.51) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL28767295 0.68 TNKS2 (0.44) KDM4EALDH1A1HPGDMAPK1CHEK2
SCHEMBL13160197 0.66 HDAC3 (0.65) KDM4EALDH1A1HPGDHDAC6HDAC3
SCHEMBL3333987 0.66 NPC1 (0.68) KDM4EALDH1A1HPGDHDAC6HDAC3
SCHEMBL3457617 0.65 TYR (0.86) KDM4EALDH1A1TYRMAPK1NPSR1

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
CN-1211370-C Imidazole derivatives with biphenylsulfonyl substituents, process for their preparation and their use as pharmaceuticals or diagnostic agents AVENTIS PHARMA GMBH (DE) 2005-07-20 CN disclosed
US-6369236-B1 DRUG FOR MEDICAL DIAGNOSIS ANTIARRHYTHMIC PROPRIETIES AND CONTAIN A CARDIOPROTECTIVE COMPOUND. THEY CAN PREVENTIVELY INHIBIT OR STRONGLY REDUCE PATHOPHYSIOLOGIC PROCESSES UPON OCCURRENCE OF ISCHEMIC INJURIES, ESPECIALLY ISCHEMIC CARDIAC AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
CN-1309645-A Imidazole derivatives with biphenylsulfonyl substituents, process for their preparation and their use as pharmaceuticals or diagnostic agents AVENTIS PHARMA GMBH (DE) 2001-08-22 CN disclosed
EP-1097141-A1 IMIDAZOLE DERIVATIVES WITH BIPHENYLSULFONYL SUBSTITUTION, METHOD FOR PREPARING THEM AND THEIR USE AS A DRUG OR DIAGNOSTIC AGENT Aventis Pharma Deutschland GmbH (DE) 2001-05-09 EP disclosed
WO-2000003996-A1 IMIDAZOLE DERIVATIVES WITH BIPHENYLSULFONYL SUBSTITUTION, METHOD FOR PREPARING THEM AND THEIR USE AS A DRUG OR DIAGNOSTIC AGENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed