SCHEMBL8987993

SCHEMBL8987993

CC(=O)N(c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccnc(C2CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.37
KDR P35968 2/20 0.36
BRAF P15056 1/20 0.36
MAP3K12 Q12852 1/20 0.36
MMP2 P08253 4/20 0.35
MMP9 P14780 4/20 0.35
KCNH2 Q12809 2/20 0.35
LIPE Q05469 5/20 0.35
PROKR1 Q8TCW9 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
SCN7A Q01118 1/20 0.34
SCN5A Q14524 1/20 0.34

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
SCHEMBL8987785 0.96 PROKR1 (0.38) SCN9AKDRBRAFMAP3K12MMP2
SCHEMBL8987811 0.88 TSHR (0.40) SCN9A
SCHEMBL8988077 0.87 TNK2 (0.46) KDRBRAFMAP3K12FFAR4
SCHEMBL8987794 0.86 CACNA1G (0.37) SCN9AMAP3K12KCNH2
SCHEMBL8987828 0.86 GAA (0.39) SCN9AMMP2MMP9
SCHEMBL8987729 0.84 TSHR (0.41) SCN9AKCNH2PROKR1
SCHEMBL8987790 0.84 LIPE (0.40) SCN9ABRAFMMP2MMP9KCNH2
SCHEMBL8988017 0.82 SCN9A (0.37) SCN9AMAP3K12KCNH2PROKR1
SCHEMBL8987860 0.82 SCN9A (0.38) SCN9ABRAFMMP2MMP9KCNH2
SCHEMBL8988022 0.81 MMP2 (0.38) SCN9ABRAFMMP2MMP9KCNH2

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
US-5556859-A N-(4-pyrimidinyl)amide pesticides DOWELANCO (US) 1996-09-17 US disclosed