SCHEMBL9801995

SCHEMBL9801995

O=C(NC1C(=O)Nc2ccccc2SC1Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.47
TDO2 P48775 2/20 0.47
HSD17B10 Q99714 3/20 0.45
GLA P06280 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.43
NAAA Q02083 4/20 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 0.86 HSD17B10 (0.53) IDO1TDO2HSD17B10GLAKDM4E
SCHEMBL9802016 0.86 HSD17B10 (0.53) IDO1TDO2HSD17B10GLAKDM4E
SCHEMBL9802678 0.86 HSD17B10 (0.53) IDO1TDO2HSD17B10GLAKDM4E
SCHEMBL9802642 0.81 ADORA2B (0.43) IDO1TDO2HSD17B10GLAKDM4E
SCHEMBL9802101 0.81 ADORA2B (0.43) IDO1TDO2HSD17B10GLAKDM4E
SCHEMBL9802108 0.81 ADORA2B (0.43) IDO1TDO2HSD17B10GLAKDM4E
SCHEMBL9802422 0.81 HSD17B10 (0.46) IDO1TDO2HSD17B10GLAKDM4E
SCHEMBL3347463 0.80 IDO1 (0.43) IDO1TDO2HSD17B10GLAKDM4E
SCHEMBL4112461 0.80 IDO1 (0.43) IDO1TDO2HSD17B10GLAKDM4E
SCHEMBL4112458 0.80 IDO1 (0.43) IDO1TDO2HSD17B10GLAKDM4E

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