SCHEMBL8988017

SCHEMBL8988017

CC(=O)N(c1ccc(OCC(F)(F)F)cc1)c1ccnc(C2CCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.37
MAP4K1 Q92918 1/20 0.36
KDM4C Q9H3R0 2/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 2/20 0.33
PROKR1 Q8TCW9 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL8987794 0.96 CACNA1G (0.37) SCN9AKDM4CCACNA1GCACNA1HCACNA1I
SCHEMBL8987785 0.87 PROKR1 (0.38) SCN9APROKR1KCNH2MAP3K12
SCHEMBL8987729 0.83 TSHR (0.41) SCN9APROKR1KCNH2
SCHEMBL8987993 0.82 SCN9A (0.37) SCN9APROKR1KCNH2MAP3K12
SCHEMBL8988077 0.82 TNK2 (0.46) MAPTCYP1A2CYP2C19MAP3K12
SCHEMBL8987719 0.82 SMN1; SMN2 (0.39) SCN9AKDM4CSMN1; SMN2MEN1KMT2A
SCHEMBL8988097 0.80 KDM4C (0.36) KDM4CSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8987967 0.80 KDM4C (0.36) KDM4CSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8987645 0.80 KDM4C (0.38) SCN9AKDM4CSMN1; SMN2MEN1MAPT
SCHEMBL8987811 0.79 TSHR (0.40) SCN9A

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