SCHEMBL8150719

SCHEMBL8150719

O=c1nccccc1SCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
POLB P06746 2/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP2C9 P11712 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PKM P14618 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL731647 0.76 RAB9A (0.59) HSD17B10POLBALDH1A1CYP2C9KMT2A
SCHEMBL10636018 0.75 POLB (0.61) HSD17B10POLBALDH1A1CYP2C9KMT2A
SCHEMBL1828531 0.75 HSD17B10 (0.56) HSD17B10POLBALDH1A1CYP2C9KMT2A
SCHEMBL15413676 0.75 HSD17B10 (0.56) HSD17B10POLBALDH1A1CYP2C9KMT2A
SCHEMBL3804451 0.75 ALDH1A1 (0.59) HSD17B10POLBALDH1A1CYP2C9KMT2A
SCHEMBL4010104 0.74 HSD17B10 (0.55) HSD17B10POLBALDH1A1CYP2C9KMT2A
SCHEMBL25931269 0.73 HSD17B10 (0.50) HSD17B10POLBALDH1A1CYP2C9KMT2A
SCHEMBL400161 0.73 POLB (0.70) HSD17B10POLBALDH1A1KMT2AMEN1
SCHEMBL1029180 0.72 HSD17B10 (1.00) HSD17B10ALDH1A1CYP2C9KMT2AMEN1
SCHEMBL430583 0.72 POLB (0.63) HSD17B10POLBALDH1A1KMT2AMEN1

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
WO-2000005246-A1 THIOAZEPINONE DERIVATIVES, PREPARATION METHOD AND INTERMEDIATES THEREFOR, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME HOECHST MARION ROUSSEL (FR) 2000-02-03 WO disclosed