SCHEMBL29469878

SCHEMBL29469878

CCCOc1ccccc1S(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.50
CA2 P00918 8/20 0.50
CA9 Q16790 6/20 0.50
CA12 O43570 5/20 0.50
CA7 P43166 3/20 0.50
PTGES2 Q9H7Z7 1/20 0.46
CA14 Q9ULX7 2/20 0.45
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 3/20 0.44
HTR2C P28335 1/20 0.44
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL1649916 1.00 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL1334805 0.91 CYP2C9 (0.56) CA1CA2CA9CA12CA7
SCHEMBL3373463 0.90 MEN1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL30296037 0.87 CA12 (0.45) CA1CA2CA9CA12CA7
SCHEMBL5579618 0.85 CA1 (0.60) CA1CA2CA9CA12CA7
SCHEMBL29469832 0.85 CA1 (0.60) CA1CA2CA9CA12CA7
SCHEMBL10749628 0.85 PTGES2 (0.46) CA1CA2CA9CA12PTGES2
SCHEMBL9711181 0.84 CA1 (0.44) CA1CA2CA9CA12CA7
SCHEMBL498544 0.84 MEN1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL17861662 0.84 CASR (0.43) CA1CA2CA9CA12CA7

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 disclosed
EP-4229045-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute Inc. (US) 2023-08-23 EP disclosed
WO-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed