SCHEMBL5835667

SCHEMBL5835667

COc1cc(CC(=O)Nc2ncc(C(C)C)s2)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.73
ALOX12 P18054 1/20 0.73
MAPK10 P53779 1/20 0.73
ALDH1A1 P00352 3/20 0.63
CCNE1 P24864 2/20 0.63
CDK2 P24941 2/20 0.63
CDK5 Q00535 2/20 0.63
CCNT1 O60563 1/20 0.63
CDK1 P06493 1/20 0.63
CDK4 P11802 1/20 0.63
CCNB1 P14635 1/20 0.63
CCNA2 P20248 1/20 0.63
CCND1 P24385 1/20 0.63
CDK7 P50613 1/20 0.63
CDK9 P50750 1/20 0.63
CCNH P51946 1/20 0.63
MNAT1 P51948 1/20 0.63
CDK5R1 Q15078 1/20 0.63
LMNA P02545 4/20 0.61
CSNK1D P48730 4/20 0.53

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
SCHEMBL5836044 0.87 LMNA (0.67) SMN1; SMN2ALOX12MAPK10ALDH1A1CCNE1
SCHEMBL5835758 0.86 CCNE1 (0.66) SMN1; SMN2ALOX12MAPK10ALDH1A1CCNE1
SCHEMBL5835475 0.85 SMN1; SMN2 (0.63) SMN1; SMN2ALOX12MAPK10ALDH1A1CCNE1
SCHEMBL6288017 0.84 SMN1; SMN2 (0.52) SMN1; SMN2ALOX12MAPK10ALDH1A1CCNE1
SCHEMBL5835509 0.82 SMN1; SMN2 (0.61) SMN1; SMN2ALOX12MAPK10ALDH1A1CCNE1
SCHEMBL5836147 0.82 CCNE1 (0.61) SMN1; SMN2ALDH1A1CCNE1CDK2CDK5
SCHEMBL5835602 0.81 CDK5 (0.73) SMN1; SMN2ALDH1A1CCNE1CDK2CDK5
SCHEMBL5836275 0.81 PSEN1 (0.72) SMN1; SMN2ALDH1A1CCNE1CDK2CDK5
SCHEMBL5836259 0.80 CCNE1 (0.68) SMN1; SMN2ALOX12MAPK10ALDH1A1CCNE1
SCHEMBL5835984 0.80 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1CCNE1CDK2CDK5

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 6 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
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