SCHEMBL5836064

SCHEMBL5836064

CC(C)c1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
RAB9A P51151 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 4/20 0.57
POLB P06746 2/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
TP53 P04637 1/20 0.54
CCNE1 P24864 2/20 0.51
CDK2 P24941 2/20 0.51
CDK5 Q00535 2/20 0.51
MCL1 Q07820 1/20 0.51

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
SCHEMBL5836520 0.91 SMN1; SMN2 (0.54) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5836343 0.85 KMT2A (0.52) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5835649 0.84 CCNE1 (0.57) MAPTRAB9ASMN1; SMN2NPC1GAA
SCHEMBL5836333 0.83 ALDH1A1 (0.61) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL5836861 0.82 CCNE1 (0.68) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5836737 0.80 KMT2A (0.61) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5835598 0.80 KMT2A (0.71) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5836356 0.79 CCNE1 (0.61) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5835388 0.79 CDK2 (0.67) RAB9ASMN1; SMN2NPC1POLBGAA
SCHEMBL5835824 0.78 STAT3 (0.59) MAPTGAAALDH1A1KDM4EMAPK1

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