SCHEMBL9802016

SCHEMBL9802016

O=C(N[C@@H]1C(=O)Nc2ccccc2S[C@@H]1c1ccccc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.53
KDM4E B2RXH2 2/20 0.53
USP2 O75604 1/20 0.53
ESR1 P03372 1/20 0.53
POLB P06746 1/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
PTPN7 P35236 1/20 0.53
RECQL P46063 1/20 0.53
ESR2 Q92731 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
IDO1 P14902 4/20 0.47
TDO2 P48775 2/20 0.47
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.42
NAAA Q02083 3/20 0.42

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
SCHEMBL9802023 1.00 HSD17B10 (0.53) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL9802678 1.00 HSD17B10 (0.53) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL9802422 0.93 HSD17B10 (0.46) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL9802465 0.89 IDO1 (0.41) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL9802108 0.87 ADORA2B (0.43) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL9802101 0.87 ADORA2B (0.43) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL9802642 0.87 ADORA2B (0.43) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL9801995 0.86 IDO1 (0.47) HSD17B10KDM4EIDO1TDO2GLA
SCHEMBL4112461 0.83 IDO1 (0.43) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3347463 0.83 IDO1 (0.43) HSD17B10KDM4EUSP2ESR1POLB

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
US-5055464-A Cognition activators, diuretics, antiulcer agents YOSHITOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1991-10-08 US disclosed
EP-0322779-A2 Benzolactam compounds and pharmaceutical uses thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-07-05 EP disclosed