SCHEMBL9822634

SCHEMBL9822634

O=S(=O)(Cl)c1ccc(Cl)cc1.c1cc2cc(c1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CYP19A1 P11511 2/20 0.44
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA3 P07451 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CA6 P23280 2/20 0.42
▸ CA5A P35218 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA13 Q8N1Q1 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ CA5B Q9Y2D0 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ EEF2K O00418 1/20 0.41

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
SCHEMBL67558 0.81 ALDH1A1 (0.65) ALDH1A1HSD17B10TDP1CYP3A4MAPK1
SCHEMBL5564527 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1CYP3A4MAPK1
SCHEMBL9822755 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1CYP3A4MAPK1
SCHEMBL9822519 0.77 CA2 (0.47) ALDH1A1HSD17B10TDP1CYP3A4MAPK1
SCHEMBL995084 0.74 ALDH1A1 (0.56) ALDH1A1HSD17B10TDP1CYP3A4MAPK1
SCHEMBL8589523 0.71 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1CYP3A4MAPK1
SCHEMBL651902 0.71 ALDH1A1 (0.71) ALDH1A1HSD17B10TDP1CYP3A4MAPK1
Chlorobenzene SCHEMBL7157332 0.70 ALDH1A1 (0.80) ALDH1A1HSD17B10TDP1CYP3A4MAPK1
SCHEMBL1133769 0.69 PGR (0.53) ALDH1A1HSD17B10TDP1CYP3A4MAPK1
Sulfamide SCHEMBL19553940 0.69 CA2 (0.46) ALDH1A1HSD17B10TDP1CYP3A4CA1

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
EP-0238401-B1 SULFON AMIDES DERIVED FROM DIARYL METHANES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATION CONTAINING THEM SANOFI (FR) 1991-08-14 — — EP claimed
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