SCHEMBL5835693

SCHEMBL5835693

COc1cc(C(=O)Nc2ncc(C(C)C)s2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.55
CDK2 P24941 4/20 0.55
CDK5 Q00535 4/20 0.55
TDP1 Q9NUW8 3/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
AR P10275 1/20 0.48
PELP1 Q8IZL8 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 1/20 0.47
MYC P01106 1/20 0.47
MAX P61244 1/20 0.47
STAT3 P40763 1/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46

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
SCHEMBL5835140 0.92 MAPT (0.59) CCNE1CDK2CDK5TDP1MAPT
SCHEMBL5835381 0.86 CDK2 (0.63) CCNE1CDK2CDK5MAPTPOLB
SCHEMBL5836294 0.84 MEN1 (0.59) CCNE1CDK2CDK5MAPTPOLB
SCHEMBL5835741 0.84 CCNE1 (0.60) CCNE1CDK2CDK5MAPTALDH1A1
SCHEMBL5836443 0.83 CCNE1 (0.46) CCNE1CDK2CDK5MAPTAR
SCHEMBL6185862 0.83 CCNE1 (0.57) CCNE1CDK2CDK5TDP1MAPT
SCHEMBL5835824 0.83 STAT3 (0.59) CCNE1CDK2CDK5MAPTALDH1A1
SCHEMBL5835451 0.83 CCNE1 (0.57) CCNE1CDK2CDK5MAPTPOLB
SCHEMBL5835657 0.81 CCNE1 (0.55) CCNE1CDK2CDK5MAPTPOLB
SCHEMBL5836697 0.81 CCNE1 (0.59) CCNE1CDK2CDK5MAPTHTT

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