SCHEMBL9802876

SCHEMBL9802876

NC1C(=O)Nc2ccccc2SC1c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.68
KDM4E B2RXH2 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
USP2 O75604 1/20 0.68
ESR1 P03372 1/20 0.68
POLB P06746 1/20 0.68
THRB P10828 1/20 0.68
HPGD P15428 1/20 0.68
ALOX15 P16050 1/20 0.68
PTPN7 P35236 1/20 0.68
RECQL P46063 1/20 0.68
ESR2 Q92731 1/20 0.68
CTDSP1 Q9GZU7 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
GLA P06280 1/20 0.49
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL9802867 1.00 HSD17B10 (0.68) HSD17B10KDM4ETDP1USP2ESR1
SCHEMBL9802883 1.00 HSD17B10 (0.68) HSD17B10KDM4ETDP1USP2ESR1
Bromide SCHEMBL3345174 0.98 HSD17B10 (0.67) HSD17B10KDM4ETDP1USP2ESR1
Bromide SCHEMBL9801855 0.98 HSD17B10 (0.67) HSD17B10KDM4ETDP1USP2ESR1
Bromide SCHEMBL9801849 0.98 HSD17B10 (0.67) HSD17B10KDM4ETDP1USP2ESR1
Bromide SCHEMBL9802574 0.87 HSD17B10 (0.53) HSD17B10KDM4ETDP1USP2ESR1
SCHEMBL8144156 0.85 SLC2A1 (0.52) HSD17B10KDM4ETDP1USP2ESR1
Bromide SCHEMBL6210519 0.84 SLC2A1 (0.51) HSD17B10KDM4ETDP1USP2ESR1
SCHEMBL8477662 0.81 HSD17B10 (1.00) HSD17B10KDM4ETDP1USP2ESR1
SCHEMBL8477667 0.81 HSD17B10 (1.00) HSD17B10KDM4ETDP1USP2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4539150-A HYPOTENSIVE AGENTS, SULFIDING, CYCLIZATION MITSUI TOATSU CHEMICALS, INC. (JP) 1985-09-03 US claimed
JP-60069076-A None JP disclosed
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
US-4539150-A HYPOTENSIVE AGENTS, SULFIDING, CYCLIZATION MITSUI TOATSU CHEMICALS, INC. (JP) 1985-09-03 US disclosed
JP-S6069076-A BENZOTHIAZEPINE DERIVATIVE AND PRODUCTION THEREOF MITSUI TOATSU CHEM INC 1985-04-19 JP disclosed
JP-S0669076-A 0001-01-01 JP disclosed