SCHEMBL5835140

SCHEMBL5835140

COc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
POLB P06746 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 7/20 0.57
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
CDK5 Q00535 1/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.49

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
SCHEMBL5835693 0.92 CCNE1 (0.55) MAPTPOLBTDP1ALDH1A1CYP3A4
SCHEMBL5836294 0.86 MEN1 (0.59) MAPTPOLBALDH1A1CYP3A4TSHR
SCHEMBL5835381 0.86 CDK2 (0.63) MAPTPOLBALDH1A1CCNE1CDK2
SCHEMBL6185862 0.85 CCNE1 (0.57) MAPTPOLBTDP1ALDH1A1CCNE1
SCHEMBL5835451 0.85 CCNE1 (0.57) MAPTPOLBALDH1A1CCNE1CDK2
SCHEMBL5835824 0.85 STAT3 (0.59) MAPTALDH1A1CYP3A4CCNE1CDK2
SCHEMBL5835657 0.83 CCNE1 (0.55) MAPTPOLBCCNE1CDK2CDK5
SCHEMBL5836697 0.83 CCNE1 (0.59) MAPTCCNE1CDK2CDK5KMT2A
SCHEMBL5835455 0.83 CCNE1 (0.59) MAPTALDH1A1CYP3A4CCNE1CDK2
SCHEMBL5835741 0.81 CCNE1 (0.60) MAPTALDH1A1CCNE1CDK2CDK5

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