SCHEMBL5835210

SCHEMBL5835210

CC(=O)OCc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.50
CDK2 P24941 6/20 0.50
CDK5 Q00535 6/20 0.50
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
PKM P14618 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
STAT3 P40763 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
THRB P10828 1/20 0.41
MAPK9 P45984 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41

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
SCHEMBL5835757 0.85 KMT2A (0.45) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL6173571 0.85 CCNE1 (0.55) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL5836294 0.82 MEN1 (0.59) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL5835140 0.81 MAPT (0.59) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL6185862 0.81 CCNE1 (0.57) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL5835451 0.81 CCNE1 (0.57) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL5835824 0.81 STAT3 (0.59) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL5835693 0.79 CCNE1 (0.55) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL5835657 0.79 CCNE1 (0.55) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL6172910 0.76 CDK2 (0.43) CCNE1CDK2CDK5MEN1KMT2A

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