SCHEMBL9790445

SCHEMBL9790445

C=C(c1ccc(N)c(O)c1)S(=O)(=O)C(=C)c1ccc(N)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ GAA P10253 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ CDC25B P30305 1/20 0.38
▸ CA12 O43570 6/20 0.37
▸ CA1 P00915 6/20 0.37
▸ CA2 P00918 6/20 0.37
▸ CA9 Q16790 6/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35

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
SCHEMBL9790421 0.85 GAA (0.50) HSD17B10ALOX15GAAMAPTKDM4E
SCHEMBL23005772 0.77 HSD17B10 (0.52) HSD17B10CYP3A4ALOX15GAAMAPT
SCHEMBL13008247 0.75 ALOX15 (0.50) HSD17B10CYP3A4ALOX15GAAMAPT
SCHEMBL23155658 0.75 ALOX15 (0.50) HSD17B10CYP3A4ALOX15GAAMAPT
SCHEMBL11474248 0.73 TSHR (0.44) CYP3A4MAPTMEN1KMT2APOLB
SCHEMBL766129 0.73 HSD17B10 (0.52) HSD17B10CYP3A4ALOX15GAAMAPT
SCHEMBL29412590 0.73 HSD17B10 (0.52) HSD17B10CYP3A4ALOX15GAAMAPT
SCHEMBL5595306 0.71 LCK (0.55) HSD17B10CYP3A4ALOX15GAAMAPT
SCHEMBL180385 0.71 KDM4E (0.64) HSD17B10CYP3A4ALOX15GAAMAPT
Hydrochloric Acid SCHEMBL9797575 0.69 MAPT (0.61) HSD17B10CYP3A4ALOX15GAAMAPT

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-5015732-A Copper monoazo dyes with triazine groups for reaction with cellulose or polyamide fibers HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 — — US disclosed
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