SCHEMBL363464

SCHEMBL363464

O=C(O)c1cc(Cl)c(Oc2ccc(Cl)cc2OC(F)F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.48
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
TTR P02766 2/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
HTR1E P28566 1/20 0.39
HTT P42858 1/20 0.39
S1PR3 Q99500 1/20 0.39
SCN9A Q15858 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL680646 0.84 HSD17B10 (0.40) MRGPRX4L3MBTL1POLBGAAMEN1
SCHEMBL680059 0.82 SCN9A (0.56) SCN9A
SCHEMBL3388103 0.76 TSHR (0.53) MRGPRX4ALDH1A1L3MBTL1POLBGAA
SCHEMBL29488334 0.76 TSHR (0.53) MRGPRX4ALDH1A1L3MBTL1POLBGAA
SCHEMBL30843194 0.76 TSHR (0.52) MRGPRX4ALDH1A1L3MBTL1POLBGAA
SCHEMBL15094323 0.75 TTR (0.54) MRGPRX4ALDH1A1L3MBTL1POLBGAA
SCHEMBL30843180 0.75 MAPT (0.39) MRGPRX4ALDH1A1L3MBTL1POLBMEN1
SCHEMBL15094293 0.72 TSHR (0.47) MRGPRX4TTRMEN1MAPTKMT2A
SCHEMBL71552 0.71 ALDH1A1 (0.44) ALDH1A1KMT2A
SCHEMBL365555 0.71 SLC6A4 (0.44) MRGPRX4SCN9A

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
EP-2593427-A1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2013-05-22 EP disclosed
WO-2012007883-A1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2012-01-19 WO disclosed