SCHEMBL5836294

SCHEMBL5836294

Cc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
HPGD P15428 3/20 0.59
LMNA P02545 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
CCNE1 P24864 3/20 0.58
CDK2 P24941 3/20 0.58
CDK5 Q00535 3/20 0.58
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
PKM P14618 1/20 0.52
STAT3 P40763 1/20 0.49
GAA P10253 2/20 0.48

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
SCHEMBL5835824 0.88 STAT3 (0.59) MEN1KMT2AALDH1A1LMNACCNE1
SCHEMBL5835451 0.88 CCNE1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL6185862 0.88 CCNE1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL5835140 0.86 MAPT (0.59) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL5835657 0.86 CCNE1 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5835870 0.85 CDK2 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL5835693 0.84 CCNE1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL6173571 0.83 CCNE1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL5835464 0.83 MEN1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL5836309 0.83 CCNE1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2NPC1

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