SCHEMBL6173571

SCHEMBL6173571

CC(C)c1cnc(NC(=O)c2ccc(CCC(=O)O)c([N+](=O)[O-])c2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.55
CDK2 P24941 6/20 0.55
CDK5 Q00535 6/20 0.55
STAT3 P40763 4/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 2/20 0.44
CCNT1 O60563 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND1 P24385 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44

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
SCHEMBL6176276 0.86 CCNE1 (0.50) CCNE1CDK2CDK5STAT3MEN1
SCHEMBL5835210 0.85 CCNE1 (0.50) CCNE1CDK2CDK5STAT3MEN1
SCHEMBL5836294 0.83 MEN1 (0.59) CCNE1CDK2CDK5STAT3MEN1
SCHEMBL5835451 0.83 CCNE1 (0.57) CCNE1CDK2CDK5STAT3MEN1
SCHEMBL6185862 0.83 CCNE1 (0.57) CCNE1CDK2CDK5STAT3MEN1
SCHEMBL5835824 0.83 STAT3 (0.59) CCNE1CDK2CDK5STAT3MEN1
SCHEMBL5835140 0.81 MAPT (0.59) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL5835657 0.81 CCNE1 (0.55) CCNE1CDK2CDK5STAT3MEN1
SCHEMBL5835693 0.79 CCNE1 (0.55) CCNE1CDK2CDK5STAT3MEN1
SCHEMBL6172910 0.78 CDK2 (0.43) CCNE1CDK2CDK5STAT3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 EP claimed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 EP claimed