SCHEMBL9802108

SCHEMBL9802108

O=C(NC1C(=O)Nc2ccccc2SC1c1cccs1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.43
IDO1 P14902 4/20 0.43
TDO2 P48775 2/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 4/20 0.41
POLB P06746 2/20 0.41
GLA P06280 1/20 0.41
USP2 O75604 1/20 0.41
ESR1 P03372 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
PTPN7 P35236 1/20 0.41
RECQL P46063 1/20 0.41
ESR2 Q92731 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.39
NAAA Q02083 3/20 0.39

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
SCHEMBL9802101 1.00 ADORA2B (0.43) ADORA2BIDO1TDO2KDM4EHSD17B10
SCHEMBL9802642 1.00 ADORA2B (0.43) ADORA2BIDO1TDO2KDM4EHSD17B10
SCHEMBL9802023 0.87 HSD17B10 (0.53) IDO1TDO2KDM4EHSD17B10POLB
SCHEMBL9802678 0.87 HSD17B10 (0.53) IDO1TDO2KDM4EHSD17B10POLB
SCHEMBL9802016 0.87 HSD17B10 (0.53) IDO1TDO2KDM4EHSD17B10POLB
SCHEMBL3342591 0.84 HSD17B10 (0.48) KDM4EHSD17B10POLBGLAUSP2
SCHEMBL9802422 0.82 HSD17B10 (0.46) IDO1TDO2KDM4EHSD17B10POLB
SCHEMBL9801995 0.81 IDO1 (0.47) IDO1TDO2KDM4EHSD17B10GLA
SCHEMBL4112461 0.79 IDO1 (0.43) IDO1TDO2KDM4EHSD17B10POLB
SCHEMBL3347463 0.79 IDO1 (0.43) IDO1TDO2KDM4EHSD17B10POLB

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