SCHEMBL6187549

SCHEMBL6187549

CC(C)c1cnc(NC(=O)CCC(NC(=O)OCc2ccccc2)C(=O)O)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.59
CDK2 P24941 6/20 0.59
CDK5 Q00535 5/20 0.59
CDK1 P06493 2/20 0.59
CDK4 P11802 2/20 0.59
CCNB1 P14635 2/20 0.59
CCND1 P24385 2/20 0.59
CCNT1 O60563 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CCNA2 P20248 1/20 0.59
CDK7 P50613 1/20 0.59
CDK9 P50750 1/20 0.59
CCNH P51946 1/20 0.59
MNAT1 P51948 1/20 0.59
CDK5R1 Q15078 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
CCNB2 O95067 1/20 0.43
CCNE2 O96020 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
SCHEMBL5836734 0.94 CCNE1 (0.59) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL13934304 0.83 CDK2 (0.67) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL5835710 0.82 CCNE1 (0.61) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL5835640 0.81 CCNE1 (0.59) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL6174422 0.80 CCNE1 (0.55) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL28748028 0.78 PSEN1 (0.49) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL5836908 0.78 CCNE1 (0.55) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL22689917 0.78 HDAC8 (0.56) SIRT2SIRT1FOLH1MMEECE1
SCHEMBL9696080 0.77 CAPN1 (0.54) ALDH1A1SIRT2SIRT1FOLH1MME
SCHEMBL10652580 0.76 PPARA (0.51) ALDH1A1SIRT2SIRT1FOLH1CTSK

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