SCHEMBL22909164

SCHEMBL22909164

CN(C)Sc1c(F)c(F)c(F)c(F)c1SCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA13 Q8N1Q1 2/20 0.49
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.38
METAP2 P50579 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PRMT1 Q99873 1/20 0.35
S100A4 P26447 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL22909600 0.87 IDO1 (0.36) CA12CA1CA2CA7CA13
SCHEMBL17629199 0.82 CA12 (0.66) CA12CA1CA2CA7CA13
SCHEMBL22909469 0.77 ALDH1A1 (0.37) CA12CA1CA2CA7CA13
SCHEMBL22909374 0.75 TAAR1 (0.39) CA12CA1CA2CA7CA13
SCHEMBL13778721 0.75 CA12 (0.58) CA12CA1CA2CA7CA13
SCHEMBL22909165 0.74 CA12 (0.61) CA12CA1CA2CA7CA13
SCHEMBL22909382 0.73 SIGMAR1 (0.40) CA12CA1CA2CA7CA13
SCHEMBL31034705 0.73 CA12 (0.65) CA12CA1CA2CA7CA13
SCHEMBL31034586 0.72 CA12 (0.55) CA12CA1CA2CA7CA13
SCHEMBL24628141 0.72 MAOA (0.53) POLBMETAP2HSD17B10ALDH1A1SLC6A4

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-2021009568-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO, INC. (CA) 2021-01-21 WO disclosed