SCHEMBL31034705

SCHEMBL31034705

Nc1c(F)c(F)c(SCc2ccccc2)c(F)c1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.65
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA7 P43166 2/20 0.65
CA13 Q8N1Q1 2/20 0.65
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.42
HSP90AA1 P07900 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL17629199 0.90 CA12 (0.66) CA12CA1CA2CA7CA13
SCHEMBL31124414 0.82 CA12 (0.58) CA12CA1CA2CA7CA13
SCHEMBL13778721 0.82 CA12 (0.58) CA12CA1CA2CA7CA13
SCHEMBL31034747 0.82 CA12 (0.58) CA12CA1CA2CA7CA13
SCHEMBL20400993 0.80 CA12 (0.56) CA12CA1CA2CA7CA13
SCHEMBL31034586 0.79 CA12 (0.55) CA12CA1CA2CA7CA13
SCHEMBL31034597 0.79 CA12 (0.55) CA12CA1CA2CA7CA13
SCHEMBL15648180 0.79 CA2 (1.00) CA12CA1CA2CA7CA13
SCHEMBL13778590 0.78 CA12 (0.54) CA12CA1CA2CA7CA13
SCHEMBL31034686 0.78 CA12 (0.58) CA12CA1CA2CA7CA13

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-2024175999-A2 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2024-08-29 WO disclosed