SCHEMBL5835908

SCHEMBL5835908

COc1cccc(C(=O)Nc2ncc(C(C)C)s2)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.53
CDK2 P24941 6/20 0.53
CDK5 Q00535 6/20 0.53
STAT3 P40763 4/20 0.52
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
MLNR O43193 1/20 0.52
NR1I2 O75469 1/20 0.52
ABCB11 O95342 1/20 0.52
TP53 P04637 1/20 0.52
ADRB2 P07550 1/20 0.52
CHRM2 P08172 1/20 0.52
ADRB1 P08588 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL5835797 0.87 HPGD (0.62) CCNE1CDK2CDK5STAT3ALDH1A1
SCHEMBL5835976 0.85 CCNE1 (0.64) CCNE1CDK2CDK5ALDH1A1RAB9A
SCHEMBL5835869 0.84 KDM4E (0.61) CCNE1CDK2CDK5ALDH1A1RAB9A
SCHEMBL5836292 0.81 CCNE1 (0.62) CCNE1CDK2CDK5STAT3ALDH1A1
SCHEMBL5836103 0.78 RAB9A (0.53) CCNE1CDK2CDK5STAT3ALDH1A1
SCHEMBL5835693 0.78 CCNE1 (0.55) CCNE1CDK2CDK5STAT3ALDH1A1
SCHEMBL5835140 0.78 MAPT (0.59) CCNE1CDK2CDK5ALDH1A1MEN1
SCHEMBL5836033 0.77 CDK2 (0.66) CCNE1CDK2CDK5STAT3ALDH1A1
SCHEMBL12994083 0.77 NPC1 (0.79) CDK2CDK5STAT3ALDH1A1RAB9A
SCHEMBL5836421 0.77 ALDH1A1 (0.68) CCNE1CDK2CDK5ALDH1A1RAB9A

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