SCHEMBL1716047

SCHEMBL1716047

Nc1nc(C(=O)O)c(-c2ccccc2OCc2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.49
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
PTGER4 P35408 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
MCL1 Q07820 1/20 0.45
IDO1 P14902 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DHODH Q02127 1/20 0.43
LTA4H P09960 1/20 0.43
MAPK14 Q16539 1/20 0.43
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.41
BRD4 O60885 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
SCHEMBL2951238 0.88 KDM4E (0.60) PTGER1PTGER4PTGER3PTGER2KDM4E
SCHEMBL5772548 0.77 KDM4E (0.42) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1715500 0.76 PTGER1 (0.43) PTGER1RXRARXRBRXRGPTGER4
SCHEMBL1520721 0.74 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1969038 0.74 ALDH1A1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL496182 0.72 ALDH1A1 (0.69) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1715611 0.71 BRD4 (0.49) SMN1; SMN2LTA4HMAPK14CYP3A4BRD4
SCHEMBL8694513 0.71 SRD5A2 (0.58) ALDH1A1SMN1; SMN2HTTCYP3A4
SCHEMBL12797117 0.71 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL8597102 0.70 BRD4 (0.50) IDO1KDM4EALDH1A1SMN1; SMN2HSD17B10

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
EP-1709018-B1 ACYLAMINOTHIAZOLE DERIVATIVES AND USE THEREOF AS BETA-AMYLOID INHIBITORS SANOFI AVENTIS (FR) 2011-07-20 EP disclosed
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