SCHEMBL5835100

SCHEMBL5835100

O=C(CCO)Nc1ncc(Br)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.70
MAPK10 P53779 1/20 0.70
CCNE1 P24864 1/20 0.60
CDK2 P24941 1/20 0.60
CDK5 Q00535 1/20 0.60
SETD1B Q9UPS6 1/20 0.51
FPR3 P25089 6/20 0.47
FPR2 P25090 6/20 0.47
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
FBP1 P09467 4/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5835044 0.90 SMN1; SMN2 (0.76) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL5835735 0.85 SMN1; SMN2 (0.83) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL5834980 0.85 SMN1; SMN2 (0.68) SMN1; SMN2MAPK10CCNE1CDK2CDK5
Hydrochloric Acid SCHEMBL5836819 0.84 SMN1; SMN2 (0.67) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL5836346 0.83 SMN1; SMN2 (0.65) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL5835424 0.83 SMN1; SMN2 (0.74) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL16529050 0.83 SMN1; SMN2 (0.74) SMN1; SMN2MAPK10CCNE1CDK2CDK5
Bromide SCHEMBL5836898 0.81 MAPK10 (0.72) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL17353987 0.81 SMN1; SMN2 (0.72) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL5835589 0.78 SMN1; SMN2 (0.67) SMN1; SMN2MAPK10CCNE1CDK2CDK5

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 7 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
EP-1124810-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 EP claimed
WO-2000026202-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 WO 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
EP-1124810-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 EP disclosed
WO-2000026202-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 WO disclosed