SCHEMBL29469818

SCHEMBL29469818

O=C(NS(=O)(=O)c1ncccc1Br)c1cc2c(F)cc(N3CCC3)cc2o1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 3/20 0.32
SCN10A Q9Y5Y9 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
COMT P21964 1/20 0.32
NAMPT P43490 1/20 0.31
MEN1 O00255 4/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL24333991 1.00 KMT2A (0.33) KMT2ARAB9ANPC1ALDH1A1SCN10A
SCHEMBL29469702 0.88 DRD2 (0.35) KMT2AALDH1A1GAARXFP1PDE4B
SCHEMBL29469656 0.87 S1PR3 (0.33) KMT2ARAB9ANPC1MEN1TDP1
SCHEMBL24333957 0.87 S1PR3 (0.33) KMT2ARAB9ANPC1MEN1TDP1
SCHEMBL24334427 0.85 PDE4B (0.32) KMT2ARAB9ANPC1ALDH1A1SCN10A
SCHEMBL24333372 0.85 DCTPP1 (0.37) KMT2ARAB9ANPC1ALDH1A1GAA
SCHEMBL29469870 0.85 DCTPP1 (0.37) KMT2ARAB9ANPC1ALDH1A1GAA
SCHEMBL29469683 0.82 MAPT (0.32) KMT2ARAB9ANPC1COMTNAMPT
SCHEMBL24333797 0.80 GFER (0.37) KMT2ARAB9ANPC1ALDH1A1GAA
SCHEMBL29469855 0.80 GFER (0.37) KMT2ARAB9ANPC1ALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229048-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute, Inc. (US) 2023-08-23 EP disclosed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed