SCHEMBL10653449

SCHEMBL10653449

O=C1Nc2ccccc2SC1c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.49
GLA P06280 1/20 0.49
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
USP2 O75604 1/20 0.46
ESR1 P03372 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
PTPN7 P35236 1/20 0.46
RECQL P46063 1/20 0.46
ESR2 Q92731 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MAPT P10636 5/20 0.45
TP53 P04637 3/20 0.45
HTT P42858 2/20 0.45
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 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
SCHEMBL10649115 0.81 MAPT (0.46) HSD17B10GLAKDM4ETDP1USP2
SCHEMBL7278586 0.78 MAPT (0.62) HSD17B10GLAKDM4ETDP1USP2
SCHEMBL3626456 0.77 CA2 (0.62) HSD17B10GLAKDM4ETDP1USP2
Hydrochloric Acid SCHEMBL10770897 0.76 CA2 (0.61) HSD17B10GLAKDM4ETDP1USP2
SCHEMBL7278853 0.75 HSD17B10 (0.46) HSD17B10GLAKDM4ETDP1USP2
SCHEMBL28768922 0.73 HSD17B10 (0.53) HSD17B10GLAKDM4ETDP1USP2
SCHEMBL2362237 0.72 HSD17B10 (0.49) HSD17B10GLAKDM4ETDP1USP2
SCHEMBL10650323 0.72 HSD17B10 (0.49) HSD17B10GLAKDM4ETDP1USP2
SCHEMBL7281597 0.72 HSD17B10 (0.52) HSD17B10GLAKDM4ETDP1USP2
SCHEMBL17634130 0.72 MAPT (0.66) HSD17B10GLAKDM4ETDP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4755509-A Heterocyclic aldose reductase inhibitors and methods of using them Carbipem (FR) 1988-07-05 US disclosed