SCHEMBL5836087

SCHEMBL5836087

O=C(Nc1ncc(CO)s1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
CCNE1 P24864 5/20 0.55
CDK2 P24941 5/20 0.55
CCNE2 O96020 2/20 0.55
CDK5 Q00535 3/20 0.51
POLB P06746 1/20 0.50
GLS O94925 1/20 0.49
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND1 P24385 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 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
SCHEMBL5956259 0.84 CCNE1 (0.67) SMN1; SMN2CCNE1CDK2CCNE2CDK5
SCHEMBL7819838 0.83 CCNE1 (0.50) SMN1; SMN2CCNE1CDK2CCNE2CDK5
SCHEMBL2370583 0.83 SMN1; SMN2 (0.57) SMN1; SMN2CCNE1CDK2CCNE2CDK5
SCHEMBL2369978 0.83 SMN1; SMN2 (0.57) SMN1; SMN2CCNE1CDK2CCNE2CDK5
SCHEMBL5835443 0.81 ALDH1A1 (0.55) SMN1; SMN2CCNE1CDK2CCNE2CDK5
SCHEMBL27549786 0.81 SMN1; SMN2 (0.54) SMN1; SMN2CCNE1CDK2CCNE2CDK5
SCHEMBL5835534 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CCNE1CDK2CCNE2CDK5
SCHEMBL10009618 0.81 JAK2 (0.54) SMN1; SMN2CCNE1CDK2CCNE2POLB
SCHEMBL13934304 0.80 CDK2 (0.67) SMN1; SMN2CCNE1CDK2CCNE2CDK5
SCHEMBL2370823 0.80 SMN1; SMN2 (0.57) SMN1; SMN2CCNE1CDK2CCNE2CDK5

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
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-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