SCHEMBL5835757

SCHEMBL5835757

CC(=O)Nc1ccc(C(=O)OCc2ccc(C(=O)Nc3ncc(C(C)C)s3)cc2[N+](=O)[O-])cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
CDK2 P24941 3/20 0.41
CCNE1 P24864 2/20 0.41
CDK5 Q00535 2/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
AR P10275 1/20 0.40
PELP1 Q8IZL8 1/20 0.40
MAPT P10636 2/20 0.38
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
DNMT1 P26358 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.37

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
SCHEMBL5835210 0.85 CCNE1 (0.50) KMT2ACDK2CCNE1CDK5ALDH1A1
SCHEMBL5836543 0.82 CDK2 (0.59) KMT2ACDK2CCNE1CDK5ALDH1A1
SCHEMBL6172910 0.79 CDK2 (0.43) KMT2ACDK2CCNE1CDK5ALDH1A1
SCHEMBL6173571 0.76 CCNE1 (0.55) KMT2ACDK2CCNE1CDK5ALDH1A1
SCHEMBL27056762 0.76 KMT2A (0.57) KMT2AALDH1A1POLBKDM4EMAPT
SCHEMBL5836294 0.74 MEN1 (0.59) KMT2ACDK2CCNE1CDK5ALDH1A1
SCHEMBL5835140 0.73 MAPT (0.59) KMT2ACDK2CCNE1CDK5ALDH1A1
SCHEMBL6185862 0.73 CCNE1 (0.57) KMT2ACDK2CCNE1CDK5ALDH1A1
SCHEMBL5835824 0.73 STAT3 (0.59) KMT2ACDK2CCNE1CDK5ALDH1A1
SCHEMBL5835451 0.73 CCNE1 (0.57) KMT2ACDK2CCNE1CDK5ALDH1A1

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