SCHEMBL6173687

SCHEMBL6173687

CC(C)c1cnc(NC(=O)CCCCCN(Cc2ccccc2)C(=O)O)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 8/20 0.64
CDK2 P24941 8/20 0.64
CDK5 Q00535 8/20 0.64
CCNT1 O60563 1/20 0.64
ALDH1A1 P00352 1/20 0.64
CDK1 P06493 1/20 0.64
CDK4 P11802 1/20 0.64
CCNB1 P14635 1/20 0.64
CCNA2 P20248 1/20 0.64
CCND1 P24385 1/20 0.64
CDK7 P50613 1/20 0.64
CDK9 P50750 1/20 0.64
CCNH P51946 1/20 0.64
MNAT1 P51948 1/20 0.64
CDK5R1 Q15078 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL6173277 0.96 CCNE1 (0.66) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5835404 0.84 CCNE1 (0.75) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5836598 0.81 CCNE1 (0.77) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL1535301 0.78 CCNE1 (1.00) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5835640 0.78 CCNE1 (0.59) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL21533498 0.78 CCNE1 (0.65) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5836016 0.78 CCNE1 (0.65) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL27549752 0.77 CDK2 (0.56) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL6191790 0.77 CDK2 (0.62) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL6185130 0.77 CDK2 (0.56) CCNE1CDK2CDK5CCNT1ALDH1A1

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