SCHEMBL2660965

SCHEMBL2660965

[CH2]CCCn1nc(N)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.41
SCN5A Q14524 2/20 0.41
MAT2A P31153 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
PKM P14618 2/20 0.33
KIF11 P52732 1/20 0.33
MAP2K4 P45985 1/20 0.31
BACE1 P56817 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
HTR6 P50406 1/20 0.31
CHUK O15111 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
SCHEMBL5583119 0.80 CCR2 (0.39) MAT2ARORARORCRORBPKM
SCHEMBL2661304 0.80 ICMT (0.36) SCN9ASCN5AMAT2APKMKIF11
SCHEMBL2660865 0.79 SCN5A (0.39) SCN9ASCN5ATBK1
SCHEMBL2662422 0.78 CNR1 (0.39) SCN9ASCN5ATBK1
SCHEMBL2660857 0.78 KIF11 (0.39) KIF11MAP2K4
SCHEMBL17038931 0.78 PTGER4 (0.42) PKMALDH1A1
SCHEMBL14380101 0.76 CNR1 (0.47) ALDH1A1
SCHEMBL30054489 0.75 SCN9A (0.42) SCN9AMAT2APKMKIF11ALDH1A1
SCHEMBL2634528 0.75 SCN9A (0.42) SCN9AMAT2APKMKIF11ALDH1A1
SCHEMBL17199372 0.75 PTGER4 (0.38) PKM

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-1966152-A2 GLUCOKINASE ACTIVATORS Takeda Pharmaceutical Company Limited (JP) 2008-09-10 EP disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 WO disclosed