SCHEMBL11413488

SCHEMBL11413488

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ CA2 P00918 10/20 0.41
▸ CA1 P00915 8/20 0.41
▸ CA9 Q16790 8/20 0.41
▸ CA12 O43570 7/20 0.41
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CA7 P43166 6/20 0.37

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
SCHEMBL11401328 0.87 CA2 (0.58) PNMTHSD17B10ALDH1A1POLBCA2
SCHEMBL11042235 0.85 HSD17B10 (0.44) HSD17B10ALDH1A1POLBCA2CA1
SCHEMBL7156223 0.84 POLB (0.49) PNMTHSD17B10ALDH1A1POLBCA2
SCHEMBL11222680 0.79 GAA (0.52) HSD17B10ALDH1A1POLBCA2CA1
SCHEMBL5673659 0.77 HSD17B10 (0.52) HSD17B10ALDH1A1POLBCA2CA1
SCHEMBL11102994 0.76 MEN1 (0.54) PNMTALDH1A1POLBCA2CA1
SCHEMBL5674072 0.76 CA2 (0.59) HSD17B10ALDH1A1POLBCA2CA1
SCHEMBL10411972 0.75 HSD17B10 (0.44) HSD17B10ALDH1A1POLBCA2CA1
Ethylenediamine SCHEMBL11368890 0.75 GAA (0.47) HSD17B10ALDH1A1POLBCA2CA1
SCHEMBL9335209 0.75 HSD17B10 (0.49) HSD17B10ALDH1A1POLBCA2CA1

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-4245007-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1981-01-13 — — US disclosed
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