SCHEMBL6023071

SCHEMBL6023071

O=c1cc(C(F)(F)F)c2cc(S(=O)(=O)Nc3ccc(CCO)cc3)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.53
PKM P14618 3/20 0.53
GAA P10253 1/20 0.53
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6022242 0.87 ALDH1A1 (0.60) ARPKMGAAPOLBMEN1
SCHEMBL6023759 0.85 POLB (0.65) ARPKMGAAPOLBMEN1
SCHEMBL6022354 0.84 AR (0.49) ARPKMGAAPOLBMEN1
SCHEMBL6022243 0.84 AR (0.61) ARPKMGAAPOLBMEN1
SCHEMBL6023623 0.83 PKM (0.70) ARPKMGAAPOLBMAPT
SCHEMBL5761367 0.83 SIRT2 (0.44) ARPKMGAA
SCHEMBL6022358 0.82 PKM (0.51) ARPKMGAAPOLBALDH1A1
SCHEMBL6022578 0.81 AR (0.52) ARPKMGAAPOLBMAPT
SCHEMBL6023096 0.81 MAPT (0.62) ARPKMGAAPOLBMAPT
SCHEMBL5759800 0.80 HTT (0.50) ARPKMGAAMAPT

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
US-7009052-B2 Sulfonamide derivatives WARNER LAMBERT COMPANY LLC (US) 2006-03-07 US disclosed