SCHEMBL29469801

SCHEMBL29469801

CC(=O)Nc1ccc(S(=O)(=O)Cl)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
CCR8 P51685 3/20 0.46
EDNRA P25101 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
EPHX1 P07099 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.41
CASP6 P55212 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
IDO1 P14902 1/20 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
SCHEMBL1855816 1.00 KMT2A (0.57) KMT2ARXFP1CCR8EDNRAALDH1A1
SCHEMBL3529089 0.90 EDNRA (0.53) KMT2ARXFP1EDNRAALDH1A1KDM4E
SCHEMBL15461560 0.85 KMT2A (0.59) KMT2ARXFP1CCR8EDNRAALDH1A1
SCHEMBL1857055 0.85 KMT2A (0.59) KMT2ARXFP1CCR8EDNRAALDH1A1
Hydrochloric Acid SCHEMBL8861874 0.84 KMT2A (0.57) KMT2ARXFP1CCR8EDNRAALDH1A1
SCHEMBL4115318 0.84 KMT2A (0.57) KMT2ARXFP1CCR8EDNRAALDH1A1
SCHEMBL4115316 0.83 KMT2A (0.56) KMT2ARXFP1CCR8EDNRAALDH1A1
SCHEMBL31689448 0.83 KMT2A (0.56) KMT2ARXFP1CCR8EDNRAALDH1A1
SCHEMBL2371826 0.81 KMT2A (0.58) KMT2ARXFP1CCR8EDNRAALDH1A1
SCHEMBL1338666 0.81 CCR8 (0.68) CCR8HPGDEPHX1MAPK1CYP1A2

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