SCHEMBL7652319

SCHEMBL7652319

CC(C)c1ccc(-c2nc(Cl)c(C=O)n2Cc2ccc(-c3ccccc3S(=O)(=O)/N=C/N(C)C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GP6 Q9HCN6 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
MAS1 P04201 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
SCHEMBL7652327 1.00 TP53 (0.38) TP53GAAMAPTSMN1; SMN2GP6
SCHEMBL7614735 0.93 GP6 (0.39) GP6OPRM1OPRK1MAS1
SCHEMBL7614742 0.93 GP6 (0.39) GP6OPRM1OPRK1MAS1
SCHEMBL7648058 0.85 TP53 (0.42) TP53GAAMAPTSMN1; SMN2GP6
SCHEMBL7652325 0.83 MAS1 (0.39) TP53GAAMAPTSMN1; SMN2MAS1
SCHEMBL6231353 0.82 PTGDR2 (0.36) TP53GAASMN1; SMN2GP6MAS1
SCHEMBL6231352 0.82 PTGDR2 (0.36) TP53GAASMN1; SMN2GP6MAS1
SCHEMBL7611012 0.81 GP6 (0.58) GP6
SCHEMBL7611021 0.81 GP6 (0.58) GP6
SCHEMBL7648006 0.80 MAS1 (0.39) TP53GAAMAPTSMN1; SMN2MAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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