SCHEMBL5836025

SCHEMBL5836025

CC(C)c1cnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
CCNE1 P24864 5/20 0.64
CDK2 P24941 5/20 0.64
CDK5 Q00535 5/20 0.64
CCNT1 O60563 1/20 0.64
CDK1 P06493 1/20 0.64
CDK4 P11802 1/20 0.64
CCNB1 P14635 1/20 0.64
CCNA2 P20248 1/20 0.64
CCND1 P24385 1/20 0.64
CDK7 P50613 1/20 0.64
CDK9 P50750 1/20 0.64
CCNH P51946 1/20 0.64
MNAT1 P51948 1/20 0.64
CDK5R1 Q15078 1/20 0.64
HPGD P15428 1/20 0.62
POLB P06746 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 4/20 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
SCHEMBL5835846 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5835729 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5835629 0.83 RAB9A (0.71) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5835961 0.81 CCNE1 (0.70) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5835546 0.81 CCNE1 (0.70) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5836172 0.81 CDK2 (0.70) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5836292 0.81 CCNE1 (0.62) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5836020 0.80 CCNE1 (0.67) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL6282337 0.80 CDK2 (0.62) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5835512 0.80 CCNE1 (0.67) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5

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