SCHEMBL4867401

SCHEMBL4867401

COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2Cc2cc(C)ccc2F)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.48
ALDH1A1 P00352 6/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 3/20 0.44
F2 P00734 1/20 0.44
BACE1 P56817 1/20 0.43
TSHR P16473 3/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3253388 0.95 MEP1B (0.53) MEP1BALDH1A1MAPTKMT2ATP53
SCHEMBL3247120 0.93 ALDH1A1 (0.52) MEP1BALDH1A1MAPTKMT2ATP53
SCHEMBL4863480 0.90 ALDH1A1 (0.53) MEP1BALDH1A1MAPTKMT2ATP53
SCHEMBL3255406 0.90 MEP1B (0.51) MEP1BALDH1A1MAPTKMT2ATP53
SCHEMBL3247461 0.87 FLT1 (0.52) MEP1BALDH1A1MAPTKMT2ATP53
SCHEMBL3252976 0.87 ALDH1A1 (0.49) MEP1BALDH1A1MAPTKMT2ATP53
SCHEMBL3256517 0.87 ALDH1A1 (0.51) MEP1BALDH1A1MAPTKMT2ATP53
SCHEMBL3254908 0.86 MEP1B (0.50) MEP1BALDH1A1MAPTKMT2AF2
SCHEMBL3251368 0.86 ALDH1A1 (0.48) MEP1BALDH1A1MAPTKMT2ATP53
SCHEMBL3254747 0.86 MAPK1 (0.58) MEP1BALDH1A1MAPTKMT2AF2

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-7396958-B2 Sulphonamide derivatives, their preparation and their therapeutic application SANOFI AVENTIS (FR) 2008-07-08 US disclosed