SCHEMBL5836737

SCHEMBL5836737

CC(C)c1cnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
AGTR1 P30556 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CCNE1 P24864 3/20 0.51
CDK2 P24941 3/20 0.51
CDK5 Q00535 3/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
STAT3 P40763 3/20 0.48
POLB P06746 2/20 0.47

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
SCHEMBL5836333 0.91 ALDH1A1 (0.61) KMT2AALDH1A1SMN1; SMN2HTTCCNE1
SCHEMBL5835760 0.88 STAT3 (0.58) KMT2AALDH1A1SMN1; SMN2MEN1KDM4E
SCHEMBL5836292 0.84 CCNE1 (0.62) KMT2AALDH1A1SMN1; SMN2MEN1KDM4E
SCHEMBL5835944 0.84 CDK2 (0.57) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL24460244 0.83 KCNMA1 (0.57) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL30771747 0.83 KCNMA1 (0.57) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5835649 0.82 CCNE1 (0.57) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL5836138 0.81 MEN1 (0.48) KMT2AALDH1A1SMN1; SMN2MEN1KDM4E
SCHEMBL5835824 0.80 STAT3 (0.59) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL5836064 0.80 MAPT (0.57) KMT2AALDH1A1SMN1; SMN2KDM4EMAPT

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