SCHEMBL9876505

SCHEMBL9876505

O=C1Nc2ccccc2S[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.73
KDM4E B2RXH2 3/20 0.73
TDP1 Q9NUW8 2/20 0.73
USP2 O75604 1/20 0.73
ESR1 P03372 1/20 0.73
POLB P06746 1/20 0.73
THRB P10828 1/20 0.73
HPGD P15428 1/20 0.73
ALOX15 P16050 1/20 0.73
PTPN7 P35236 1/20 0.73
RECQL P46063 1/20 0.73
ESR2 Q92731 1/20 0.73
CTDSP1 Q9GZU7 1/20 0.73
TP53 P04637 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 4/20 0.52
GLA P06280 1/20 0.42
CYBB P04839 1/20 0.42
NOX3 Q9HBY0 1/20 0.42
NOX4 Q9NPH5 1/20 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
SCHEMBL30923532 1.00 HSD17B10 (0.73) HSD17B10KDM4ETDP1USP2ESR1
SCHEMBL9206281 1.00 HSD17B10 (0.73) HSD17B10KDM4ETDP1USP2ESR1
SCHEMBL9206274 1.00 HSD17B10 (0.73) HSD17B10KDM4ETDP1USP2ESR1
SCHEMBL30923533 0.87 HSD17B10 (0.73) HSD17B10KDM4ETDP1USP2ESR1
SCHEMBL30923527 0.85 HSD17B10 (0.79) HSD17B10KDM4ETDP1USP2ESR1
SCHEMBL8477662 0.85 HSD17B10 (1.00) HSD17B10KDM4ETDP1USP2ESR1
SCHEMBL2117385 0.85 HSD17B10 (1.00) HSD17B10KDM4ETDP1USP2ESR1
SCHEMBL8477667 0.85 HSD17B10 (1.00) HSD17B10KDM4ETDP1USP2ESR1
SCHEMBL11021035 0.83 HSD17B10 (0.79) HSD17B10KDM4ETDP1USP2ESR1
SCHEMBL11021033 0.83 HSD17B10 (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001236-A Benzothiazepines MARION LABORATORIES, INC. (US) 1991-03-19 US disclosed