SCHEMBL5835799

SCHEMBL5835799

CCCC(=O)Nc1ncc(CC(C)C)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
MAPK10 P53779 1/20 0.51
CDK2 P24941 3/20 0.48
CCNE1 P24864 2/20 0.48
CDK5 Q00535 2/20 0.48
LMNA P02545 1/20 0.47
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL15581413 0.80 SMN1; SMN2 (0.51) SMN1; SMN2MAPK10CDK2CCNE1CDK5
SCHEMBL5835804 0.80 CDK2 (0.52) SMN1; SMN2MAPK10CDK2CCNE1CDK5
SCHEMBL5835819 0.79 CDK2 (0.63) SMN1; SMN2MAPK10CDK2CCNE1CDK5
SCHEMBL5835540 0.78 CDK2 (0.50) SMN1; SMN2MAPK10CDK2CCNE1CDK5
SCHEMBL5835873 0.78 CDK2 (0.50) SMN1; SMN2MAPK10CDK2CCNE1CDK5
SCHEMBL5837409 0.77 SMN1; SMN2 (0.58) SMN1; SMN2MAPK10ALDH1A1RAB9ANPC1
SCHEMBL5835971 0.77 CDK2 (0.49) SMN1; SMN2MAPK10CDK2CCNE1CDK5
SCHEMBL5835965 0.77 LMNA (0.65) SMN1; SMN2CDK2CCNE1CDK5LMNA
SCHEMBL5835990 0.77 CDK2 (0.49) SMN1; SMN2MAPK10CDK2CCNE1CDK5
SCHEMBL5835735 0.76 SMN1; SMN2 (0.83) SMN1; SMN2MAPK10CDK2CCNE1CDK5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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