SCHEMBL28381237

SCHEMBL28381237

O=[C]c1ccc(Oc2c(Oc3ccc(OC(F)(F)F)cc3)ccc(OC(F)(F)F)c2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.35
SLC6A2 P23975 5/20 0.35
SLC6A3 Q01959 3/20 0.35
SCN8A Q9UQD0 2/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
EPHX2 P34913 2/20 0.33
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.32
SCN9A Q15858 2/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
MMP9 P14780 2/20 0.31
MMP14 P50281 2/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
ACACB O00763 1/20 0.31
MMP2 P08253 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
SCHEMBL97113 0.78 EPHX2 (0.47) EPHX2MAPTACACB
SCHEMBL28379652 0.75 SCN10A (0.36) SCN10A
SCHEMBL28382354 0.75 SCN10A (0.32) SCN8ASCN10A
SCHEMBL20638694 0.70 EPHX2 (0.46) SLC6A4SLC6A2SLC6A3SCN8ASCN10A
SCHEMBL7588692 0.67 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3EPHX2MAPT
SCHEMBL9654773 0.65 PARP15 (0.42) MAPT
SCHEMBL28780452 0.65 EPHX2 (0.50) SLC6A4SLC6A2SLC6A3EPHX2MAPT
SCHEMBL9422169 0.65 PARP15 (0.42) MAPT
SCHEMBL17103390 0.65 MAPT (0.32) EPHX2MAPTACACB
SCHEMBL17103328 0.65 EPHX2 (0.32) EPHX2ACACB

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
CN-111065383-A Carboxamides useful as sodium channel modulators 沃泰克斯药物股份有限公司 2020-04-24 CN disclosed