SCHEMBL29469622

SCHEMBL29469622

O=C(NS(=O)(=O)c1ccccc1C1=NOCCO1)c1cc2c(F)cc(N3CCC3)cc2o1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALOX5AP P20292 11/20 0.32
FEN1 P39748 11/20 0.32
MAPT P10636 4/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 3/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTT P42858 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
SCHEMBL24333951 0.85 ALOX5AP (0.37) KMT2ANPC1RAB9AALOX5APFEN1
SCHEMBL29469812 0.85 ALOX5AP (0.37) KMT2ANPC1RAB9AALOX5APFEN1
SCHEMBL24334281 0.84 ALOX5AP (0.32) KMT2AALOX5APFEN1MAPTALDH1A1
SCHEMBL24334285 0.83 NPC1 (0.33) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL24333923 0.82 HCRTR1 (0.37) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL24334215 0.81 KMT2A (0.37) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL24333714 0.81 ACLY (0.40) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL29469673 0.80 KMT2A (0.38) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL29469648 0.80 KMT2A (0.36) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL24333403 0.79 KMT2A (0.35) KMT2ANPC1RAB9AMAPTALDH1A1

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