SCHEMBL5835683

SCHEMBL5835683

CCOc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1OCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
HPGD P15428 2/20 0.69
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
KDM4E B2RXH2 3/20 0.63
CCNE1 P24864 6/20 0.60
CDK2 P24941 6/20 0.60
CDK5 Q00535 6/20 0.60
MAPK1 P28482 1/20 0.52
SCD O00767 2/20 0.51
CCNT1 O60563 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48
CCNH P51946 1/20 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
SCHEMBL5835902 0.87 HPGD (0.62) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5835381 0.86 CDK2 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5836365 0.84 CDK2 (0.56) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5836073 0.84 CCNE1 (0.68) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5835741 0.81 CCNE1 (0.60) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5835455 0.81 CCNE1 (0.59) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5836697 0.81 CCNE1 (0.59) SMN1; SMN2NPC1RAB9ACCNE1CDK2
SCHEMBL5836421 0.80 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5835870 0.79 CDK2 (0.67) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5837029 0.78 CDK2 (0.66) ALDH1A1SMN1; SMN2NPC1RAB9ACCNE1

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