SCHEMBL16319184

SCHEMBL16319184

O=C(O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.56
SCN9A Q15858 2/20 0.49
HSP90AA1 P07900 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.43
FFAR1 O14842 1/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 2/20 0.42
P2RX3 P56373 1/20 0.41
SOS1 Q07889 1/20 0.41
SRD5A2 P31213 1/20 0.41
SCN5A Q14524 1/20 0.41
IGFBP3 P17936 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL364276 0.84 SCN9A (0.54) SCN9APPARGPPARAMAOA
SCHEMBL16319305 0.83 SCN9A (0.65) KMOSCN9AHSP90AA1SCN5AIGFBP3
SCHEMBL15094056 0.83 SCN9A (0.55) KMOSCN9AIGFBP3
SCHEMBL365782 0.83 SCN9A (0.52) KMOSCN9AHSP90AA1P2RX3SCN5A
SCHEMBL31522070 0.83 SOS1 (0.49) SCN9AMAOAMAOBPOLBP2RX3
SCHEMBL21274783 0.81 MAOB (0.51) SCN9APPARAMAOBPOLBSRD5A2
SCHEMBL27245275 0.81 SRD5A2 (0.57) FFAR1POLBSRD5A2
SCHEMBL3142992 0.79 S1PR2 (0.51) KMOSCN9APPARGPPARAPOLB
SCHEMBL12344603 0.79 S1PR2 (0.38) KMOSCN9APPARAMAOAMAOB
SCHEMBL22439750 0.78 PPARG (0.44) KMOSCN9AHSP90AA1FFAR1PPARG

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
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed