SCHEMBL29469686

SCHEMBL29469686

CN(C)c1cccc2c(S(=O)(=O)NC(=O)c3cc4c(F)cc(N5CCC5)cc4o3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.44
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
HTR7 P34969 1/20 0.41
F2 P00734 2/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
NR3C1 P04150 1/20 0.40
TGM2 P21980 2/20 0.38
HDAC1 Q13547 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CA2 P00918 1/20 0.37
KLK7 P49862 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL24334273 1.00 NLRP3 (0.44) NLRP3KMT2AATMHTR7F2
SCHEMBL24333392 0.92 KMT2A (0.36) NLRP3KMT2AATMHTR7NR3C1
SCHEMBL29469667 0.92 KMT2A (0.36) NLRP3KMT2AATMHTR7NR3C1
SCHEMBL29469709 0.86 FABP4 (0.38)
SCHEMBL24334396 0.86 FABP4 (0.38)
SCHEMBL24333973 0.85 KMT2A (0.41) KMT2AATM
SCHEMBL29469607 0.85 KMT2A (0.41) KMT2AATM
SCHEMBL24334004 0.84 ALDH1A1 (0.34) KMT2AATMF10
SCHEMBL24333674 0.84 KMT2A (0.38) KMT2AATM
SCHEMBL29469632 0.84 KMT2A (0.38) KMT2AATM

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