SCHEMBL9211101

SCHEMBL9211101

Cc1ccc(-c2nc(SCCCSc3nccn3C)[nH]c2-c2ccc(C)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ACAT1 P24752 1/20 0.46
SOAT1 P35610 1/20 0.46
MAPK14 Q16539 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
SCHEMBL9211133 0.90 MAPK14 (0.58) MAPK14
SCHEMBL9208497 0.90 ACAT1 (0.54) ACAT1SOAT1
Hydrochloric Acid SCHEMBL9212101 0.89 ACAT1 (0.53) KDM4EACAT1SOAT1
SCHEMBL9209108 0.88 ACAT1 (0.57) ACAT1SOAT1
SCHEMBL9213144 0.87 ACAT1 (0.59) ACAT1SOAT1
SCHEMBL9211240 0.87 ACAT1 (0.59) ACAT1SOAT1
Maleic Acid SCHEMBL9215913 0.83 KDM4E (0.48) KDM4EACAT1SOAT1
SCHEMBL9213622 0.76 KDM4E (0.48) KDM4E
SCHEMBL9213632 0.76 KDM4E (0.48) KDM4E
SCHEMBL9209606 0.76 ACAT1 (0.53) ACAT1SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0505468-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS ACYL COENZYME-A INHIBITORS RHONE POULENC SANTE (FR) 1995-04-26 EP claimed
EP-0505468-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS ACYL COENZYME-A INHIBITORS RHONE POULENC SANTE (FR) 1995-04-26 EP disclosed
EP-0505468-A1 IMIDAZOLES. RHONE POULENC SANTE (FR) 1992-09-30 EP disclosed
WO-1991009021-A1 IMIDAZOLES RHONE-POULENC SANTE (FR) 1991-06-27 WO disclosed