SCHEMBL5835846

SCHEMBL5835846

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
CCNE1 P24864 5/20 0.55
CDK2 P24941 5/20 0.55
CDK5 Q00535 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CCNT1 O60563 1/20 0.55
CDK1 P06493 1/20 0.55
CDK4 P11802 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNA2 P20248 1/20 0.55
CCND1 P24385 1/20 0.55
CDK7 P50613 1/20 0.55
CDK9 P50750 1/20 0.55
CCNH P51946 1/20 0.55
MNAT1 P51948 1/20 0.55
CDK5R1 Q15078 1/20 0.55
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.47
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 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
SCHEMBL5835729 0.86 ALDH1A1 (0.51) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5836025 0.86 ALDH1A1 (0.68) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5836595 0.84 ALDH1A1 (0.70) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5837403 0.82 ALDH1A1 (0.68) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5836095 0.79 MEN1 (0.55) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5836861 0.75 CCNE1 (0.68) CCNE1CDK2CDK5SMN1; SMN2CYP1A2
SCHEMBL6287725 0.75 CCNE1 (0.67) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5835969 0.75 CDK2 (0.60) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5835954 0.75 CCNE1 (0.60) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL6173571 0.75 CCNE1 (0.55) 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 6 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
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