SCHEMBL15955640

SCHEMBL15955640

Nc1c(Cl)cc(Oc2ccc(OC(F)(F)F)cc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.41
SCN5A Q14524 3/20 0.41
KCNH2 Q12809 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRIN2B Q13224 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL342267 0.85 ALDH1A1 (0.44) SCN9ASCN5AMAPK1MAPTRECQL
SCHEMBL15955498 0.81 MAPT (0.40) SCN9ASCN5AKCNH2MAPK1MAPT
SCHEMBL24750157 0.81 NR4A1 (0.44) SCN9ASCN5AKCNH2MAPK1MAPT
SCHEMBL31694862 0.81 NR4A1 (0.44) SCN9ASCN5AKCNH2MAPK1MAPT
SCHEMBL19433265 0.79 MAOB (0.44) SCN9ASCN5AKCNH2MAPK1MAPT
SCHEMBL15955572 0.78 CHRNA7 (0.43) MAPK1MAPTRECQLL3MBTL1GRIN2B
SCHEMBL28780452 0.78 EPHX2 (0.50) SCN9ASCN5AKCNH2MAPTL3MBTL1
SCHEMBL943194 0.78 ALDH1A1 (0.55) MAPTL3MBTL1MAOAMAOBNPC1
SCHEMBL10632410 0.77 NPBWR1 (0.41) SCN9ASCN5AKCNH2MAPK1MAPT
SCHEMBL633116 0.77 ALDH1A1 (0.64) SCN9ASCN5AKCNH2MAPK1MAPT

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
WO-2014126580-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-08-21 WO disclosed
WO-2014126580-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-08-21 WO disclosed