SCHEMBL5836595

SCHEMBL5836595

CC(C)c1cnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
CCNE1 P24864 3/20 0.70
CDK2 P24941 3/20 0.70
CDK5 Q00535 3/20 0.70
CCNT1 O60563 1/20 0.70
CDK1 P06493 1/20 0.70
CDK4 P11802 1/20 0.70
CCNB1 P14635 1/20 0.70
CCNA2 P20248 1/20 0.70
CCND1 P24385 1/20 0.70
CDK7 P50613 1/20 0.70
CDK9 P50750 1/20 0.70
CCNH P51946 1/20 0.70
MNAT1 P51948 1/20 0.70
CDK5R1 Q15078 1/20 0.70
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
RAB9A P51151 3/20 0.60
LMNA P02545 3/20 0.60

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
SCHEMBL5836095 0.88 MEN1 (0.55) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5837403 0.87 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5835800 0.84 CCNE1 (0.79) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5835412 0.84 CDK2 (0.79) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5835846 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5835740 0.83 CCNE1 (0.77) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5835737 0.83 CCNE1 (0.77) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL27550567 0.83 CDK2 (0.77) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5836000 0.83 CCNE1 (0.77) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5476983 0.83 CCNE1 (0.77) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5

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