SCHEMBL4730728

SCHEMBL4730728

CC1(C)c2ccc(F)cc2S(=O)(=O)c2cc(N)c(C(F)(F)F)cc21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL4734968 0.80 TRPV4 (0.36)
SCHEMBL4730442 0.80 ATM (0.39) ALDH1A1
SCHEMBL4732453 0.76 TYMS (0.35) FFAR4ALDH1A1IDO1
SCHEMBL4731449 0.74 FFAR4 (0.35) FFAR4ALDH1A1IDO1
SCHEMBL4730918 0.73 GPR3 (0.39)
SCHEMBL4733825 0.71 SFRP1 (0.46)
SCHEMBL4732090 0.70 AGBL2 (0.34) ALDH1A1HCAR3HCAR2
SCHEMBL4732570 0.70 HSPB1 (0.43) BACE1ALDH1A1
SCHEMBL4731674 0.68 PTGDR2 (0.33)
SCHEMBL185520 0.67 ALDH1A1 (0.52) FFAR4ALDH1A1IDO1

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