SCHEMBL5837403

SCHEMBL5837403

CC(C)c1cnc(NC(=O)Cc2cccc([N+](=O)[O-])c2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
CCNE1 P24864 5/20 0.68
CDK2 P24941 5/20 0.68
CDK5 Q00535 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
CCNT1 O60563 1/20 0.68
CDK1 P06493 1/20 0.68
CDK4 P11802 1/20 0.68
CCNB1 P14635 1/20 0.68
CCNA2 P20248 1/20 0.68
CCND1 P24385 1/20 0.68
CDK7 P50613 1/20 0.68
CDK9 P50750 1/20 0.68
CCNH P51946 1/20 0.68
MNAT1 P51948 1/20 0.68
CDK5R1 Q15078 1/20 0.68
MAPT P10636 5/20 0.53
LMNA P02545 4/20 0.53
CASP7 P55210 1/20 0.53
CASP6 P55212 1/20 0.53

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
SCHEMBL5836595 0.87 ALDH1A1 (0.70) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5836011 0.83 CCNE1 (0.76) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5835984 0.83 ALDH1A1 (0.71) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL6287725 0.83 CCNE1 (0.67) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5836212 0.82 CCNE1 (0.74) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5835575 0.82 CCNE1 (0.74) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5835846 0.82 ALDH1A1 (0.55) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL1535301 0.81 CCNE1 (1.00) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5835598 0.81 KMT2A (0.71) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5485369 0.81 CCNE1 (0.71) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US claimed
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
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN claimed
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US disclosed
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 disclosed
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 disclosed
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN disclosed