SCHEMBL4731445

SCHEMBL4731445

CCC1(CC)c2ccccc2S(=O)(=O)c2cc(S(=O)(=O)NCCc3ccccn3)c(C)cc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PRMT5 O14744 7/20 0.43
WDR77 Q9BQA1 7/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.40

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
SCHEMBL4734759 0.86 MEN1 (0.45) MEN1KMT2A
SCHEMBL4729666 0.85 MEN1 (0.44) MEN1KMT2APRMT5WDR77KDM4E
SCHEMBL4733900 0.85 ALDH1A1 (0.41) MEN1KMT2AKDM4EMAPT
SCHEMBL4798309 0.85 MEN1 (0.44) MEN1KMT2APRMT5WDR77KDM4E
SCHEMBL4734712 0.84 POLB (0.46) PRMT5WDR77
SCHEMBL4733520 0.78 MEN1 (0.48) MEN1KMT2APRMT5WDR77KDM4E
SCHEMBL4732674 0.76 ALOX5AP (0.34) KDM4E
SCHEMBL4730924 0.75 ALDH1A1 (0.32)
SCHEMBL4733963 0.74 CNR2 (0.38) MEN1KMT2A
SCHEMBL4731333 0.73 PRMT5 (0.46) MEN1KMT2APRMT5WDR77KDM4E

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