SCHEMBL16175019

SCHEMBL16175019

Oc1cnc(OCC(F)(F)C(F)(F)F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN9A Q15858 7/20 0.35
SSTR4 P31391 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL15094149 0.87 RAB9A (0.43) RAB9AMRGPRX4MAPK1SMN1; SMN2SCN9A
SCHEMBL15094325 0.84 RAB9A (0.42) RAB9AMRGPRX4MAPK1SMN1; SMN2SCN9A
SCHEMBL363857 0.81 SCN9A (0.49) RAB9AMRGPRX4MAPK1SMN1; SMN2SCN9A
SCHEMBL24599916 0.81 SSTR4 (0.44) MRGPRX4SMN1; SMN2SSTR4AAK1LMNA
SCHEMBL15599247 0.78 PTGS2 (0.36) MRGPRX4SMN1; SMN2SSTR4AAK1LMNA
SCHEMBL365031 0.77 RAB9A (0.39) RAB9AMRGPRX4MAPK1SMN1; SMN2SCN9A
SCHEMBL17244901 0.77 AAK1 (0.39) SMN1; SMN2SSTR4AAK1CYP1A2CYP3A4
SCHEMBL16177396 0.74 RORC (0.41) RAB9AMRGPRX4MAPK1SMN1; SMN2LMNA
SCHEMBL16175131 0.73 SCN9A (0.44) RAB9AMRGPRX4MAPK1SMN1; SMN2SCN9A
SCHEMBL16240182 0.72 SCN9A (0.45) RAB9AMRGPRX4MAPK1SMN1; SMN2SCN9A

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-2593431-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed
EP-2593432-B1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2014-10-22 EP disclosed