SCHEMBL29469716

SCHEMBL29469716

O=C(NS(=O)(=O)c1ccccc1OC1CC1)c1cc2c(F)cc(N3CCC3)cc2o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.35
CCR3 P51677 1/20 0.35
SCN9A Q15858 3/20 0.35
FABP4 P15090 2/20 0.35
FABP5 Q01469 2/20 0.35
KAT6A Q92794 2/20 0.35
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SCN1A P35498 3/20 0.34
SCN8A Q9UQD0 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
MCHR1 Q99705 2/20 0.33
EPHX2 P34913 1/20 0.33
RORC P51449 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL24334278 1.00 HRH1 (0.35) HRH1CCR3SCN9AFABP4FABP5
SCHEMBL31525463 0.89 KAT6A (0.41) HRH1CCR3KAT6AKMT2AALDH1A1
SCHEMBL24333954 0.88 TP53 (0.42) KAT6AKMT2ANPC1RAB9AMEN1
SCHEMBL29469684 0.88 ALDH1A1 (0.36) SCN9ASCN1ASCN8AALDH1A1RORC
SCHEMBL24334016 0.88 ALDH1A1 (0.36) SCN9ASCN1ASCN8AALDH1A1RORC
SCHEMBL29469618 0.87 FBP1 (0.39) SCN9AFABP4FABP5KAT6AKMT2A
SCHEMBL24333358 0.87 SCN9A (0.36) HRH1CCR3SCN9AFABP4FABP5
SCHEMBL24333336 0.86 SCN9A (0.34) SCN9AFABP4FABP5KAT6AMCHR1
SCHEMBL29469915 0.86 SCN9A (0.34) SCN9AFABP4FABP5KAT6AMCHR1
SCHEMBL24334437 0.86 KMT2A (0.38) KAT6AKMT2ANPC1RAB9AMEN1

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 4 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 claimed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO claimed
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