SCHEMBL3715404

SCHEMBL3715404

Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CA2 P00918 4/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ CCR2 P41597 2/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ AR P10275 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32

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
SCHEMBL3709298 0.82 CA2 (0.48) GAATSHRGLAPOLBCA2
SCHEMBL8951824 0.82 HSD17B10 (0.37) GAATSHRPOLBCA2HSD17B10
SCHEMBL3718767 0.81 CA2 (0.46) GAATSHRPOLBCA2CCR2
SCHEMBL9811303 0.81 CA2 (0.45) GAATSHRPOLBCA2HSD17B10
SCHEMBL9682315 0.80 RAPGEF4 (0.42) GAATSHRPOLBCA2HSD17B10
SCHEMBL9809387 0.80 RAPGEF4 (0.42) GAATSHRPOLBCA2HSD17B10
SCHEMBL8745461 0.78 ALDH1A1 (0.42) GAATSHRPOLBCA2HSD17B10
SCHEMBL11320919 0.77 GAA (0.42) GAATSHRGLAPOLBCA2
SCHEMBL27638516 0.77 GAA (0.52) GAATSHRGLAPOLBCA2
SCHEMBL6937844 0.75 L3MBTL1 (0.40) GAATSHRPOLBHSD17B10ALDH1A1

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-2010094415-A1 FLUORINE CONTAINING REACTIVE DYES DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2010-08-26 — — WO disclosed
Send feedback