SCHEMBL5835797

SCHEMBL5835797

Cc1cccc(C(=O)Nc2ncc(C(C)C)s2)c1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
STAT3 P40763 5/20 0.58
CCNE1 P24864 6/20 0.55
CDK2 P24941 6/20 0.55
CDK5 Q00535 6/20 0.55
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 4/20 0.48
MAPK1 P28482 2/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 2/20 0.47
CCNT1 O60563 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CCND1 P24385 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
SCHEMBL5835908 0.87 CCNE1 (0.53) HPGDSTAT3CCNE1CDK2CDK5
SCHEMBL5836292 0.85 CCNE1 (0.62) HPGDSTAT3CCNE1CDK2CDK5
SCHEMBL5836180 0.83 CDK2 (0.69) HPGDSTAT3CCNE1CDK2CDK5
SCHEMBL5836309 0.81 CCNE1 (0.58) STAT3CCNE1CDK2CDK5MEN1
SCHEMBL5835760 0.78 STAT3 (0.58) HPGDSTAT3CCNE1CDK2CDK5
SCHEMBL5836772 0.77 CDK2 (0.51) STAT3CCNE1CDK2CDK5MEN1
SCHEMBL5836333 0.77 ALDH1A1 (0.61) HPGDSTAT3CCNE1CDK2CDK5
SCHEMBL5835598 0.76 KMT2A (0.71) STAT3CCNE1CDK2CDK5MEN1
SCHEMBL6177659 0.76 CDK2 (0.73) HPGDCCNE1CDK2CDK5MEN1
SCHEMBL5836294 0.76 MEN1 (0.59) HPGDSTAT3CCNE1CDK2CDK5

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 8 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
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN 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
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN disclosed