SCHEMBL4732453

SCHEMBL4732453

Nc1cc2c(cc1C(F)(F)F)CCc1ccc(F)cc1S2(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.35
FFAR4 Q5NUL3 1/20 0.34
IDO1 P14902 2/20 0.31
SRD5A1 P18405 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4731449 0.76 FFAR4 (0.35) FFAR4IDO1ALDH1A1
SCHEMBL4730728 0.76 BACE1 (0.35) FFAR4IDO1ALDH1A1
SCHEMBL4733982 0.71 HTR2A (0.35) SRD5A1
SCHEMBL4732184 0.69 MEN1 (0.39) TYMS
SCHEMBL4732823 0.66 TRPV4 (0.34)
SCHEMBL11003086 0.66 CYP19A1 (0.32) ALDH1A1
SCHEMBL186087 0.66 KIF11 (0.48) FFAR4IDO1ALDH1A1L3MBTL1
SCHEMBL29978561 0.66 KIF11 (0.48) FFAR4IDO1ALDH1A1L3MBTL1
SCHEMBL185520 0.66 ALDH1A1 (0.52) FFAR4IDO1ALDH1A1
SCHEMBL4732626 0.65 ATM (0.40) ALDH1A1L3MBTL1

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 1 patent. 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 disclosed