SCHEMBL5837008

SCHEMBL5837008

CCCC(=O)Nc1ncc(Cl)s1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
MAPK10 P53779 1/20 0.56
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.51
FFAR2 O15552 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
ALOX15 P16050 1/20 0.47
RXFP1 Q9HBX9 1/20 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
SCHEMBL4292854 0.84 ADORA2A (0.63) SMN1; SMN2NPC1RAB9AALOX15
SCHEMBL5837409 0.82 SMN1; SMN2 (0.58) SMN1; SMN2MAPK10ALDH1A1NPC1RAB9A
SCHEMBL5835735 0.81 SMN1; SMN2 (0.83) SMN1; SMN2MAPK10ALDH1A1NPC1RAB9A
SCHEMBL5835745 0.80 MAPT (0.50) SMN1; SMN2MAPK10ALDH1A1GAALMNA
SCHEMBL7936040 0.80 ALOX15 (0.52) SMN1; SMN2MAPK10ALDH1A1NPC1RAB9A
SCHEMBL5839769 0.80 ALOX15 (0.49) SMN1; SMN2MAPK10ALDH1A1NPC1RAB9A
SCHEMBL29003794 0.79 MAPT (0.55) SMN1; SMN2ALDH1A1GAALMNA
SCHEMBL5835819 0.78 CDK2 (0.63) SMN1; SMN2MAPK10ALDH1A1RAB9ALMNA
SCHEMBL27481150 0.78 SMN1; SMN2 (0.54) SMN1; SMN2MAPK10ALDH1A1RAB9ALMNA
SCHEMBL966406 0.78 ALOX15 (0.53) LMNAFFAR2ALOX15

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