SCHEMBL5767787

SCHEMBL5767787

CC(C)(C)OC(=O)Nc1ncc(-c2ccccc2OCc2ccccc2)s1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 10/20 0.53
CSNK2A1 P68400 10/20 0.53
PTGER1 P34995 6/20 0.45
PTGER4 P35408 4/20 0.45
PTGER3 P43115 4/20 0.45
PTGER2 P43116 4/20 0.45
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
CDK5 Q00535 1/20 0.44
CCNE2 O96020 1/20 0.43
CYP2C9 P11712 1/20 0.43
BRD4 O60885 1/20 0.42
GLS O94925 1/20 0.41

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
SCHEMBL1715500 0.81 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2CCNE1
SCHEMBL1260011 0.80 MAPK1 (0.42) CSNK2A2CSNK2A1CCNE1CDK2CDK5
SCHEMBL28014843 0.79 KDR (0.62) CSNK2A2CSNK2A1CCNE1CDK2CDK5
SCHEMBL2953087 0.79 GAA (0.41) PTGER1PTGER4PTGER3PTGER2CYP2C9
SCHEMBL8282581 0.79 PTGER1 (0.40) PTGER1PTGER4PTGER3PTGER2CCNE1
SCHEMBL12462645 0.78 PTPN1 (0.42) PTGER1PTGER4PTGER3PTGER2CYP2C9
SCHEMBL1716179 0.78 LIMK1 (0.41) CSNK2A2CSNK2A1CCNE1CDK2CDK5
SCHEMBL1260986 0.76 CSNK2A2 (0.47) CSNK2A2CSNK2A1CCNE1CDK2CDK5
SCHEMBL8283417 0.76 PTGER1 (0.38) PTGER1PTGER4PTGER3PTGER2CCNE1
SCHEMBL12027281 0.76 CCNE1 (0.51) CCNE1CDK2CDK5CCNE2GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709018-A1 ACYLAMINOTHIAZOLE DERIVATIVES AND USE THEREOF AS BETA-AMYLOID INHIBITORS Sanofi-Aventis (FR) 2006-10-11 EP disclosed
WO-2005073202-A1 ACYLAMINOTHIAZOLE DERIVATIVES AND USE THEREOF AS BETA-AMYLOID INHIBITORS SANOFI-AVENTIS (FR) 2005-08-11 WO disclosed