SCHEMBL4731333

SCHEMBL4731333

Cc1cc2c(cc1S(=O)(=O)NCCc1ccccn1)S(=O)(=O)c1cc(F)ccc1O2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 7/20 0.46
WDR77 Q9BQA1 7/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL4734768 0.91 MEN1 (0.57) MEN1KMT2AKDM4EALDH1A1
SCHEMBL4733867 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1RAB9A
SCHEMBL4734755 0.83 POLB (0.46) PRMT5WDR77MEN1KMT2AKDM4E
SCHEMBL4734747 0.80 KMT2A (0.48) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL4781177 0.80 KMT2A (0.49) KMT2AMAPTALDH1A1
SCHEMBL4732610 0.78 NR2F2 (0.51) MAPTALDH1A1RAB9A
SCHEMBL4730919 0.77 POLB (0.58) MEN1KMT2AKDM4EALDH1A1
SCHEMBL4732203 0.76 CYP19A1 (0.59) KMT2AALDH1A1
SCHEMBL4733520 0.76 MEN1 (0.48) PRMT5WDR77MEN1KMT2AKDM4E
SCHEMBL4733368 0.75 CHRM2 (0.41) MEN1KMT2AMAPT

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
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO claimed
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed