SCHEMBL5310356

SCHEMBL5310356

O=C(Nc1ccc(Cl)cn1)c1ccc(N2CCCN(C(=O)c3cccc(F)c3C(F)(F)F)C2=O)nc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
F10 P00742 14/20 0.44
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL5306749 0.88 F10 (0.47) SMN1; SMN2TDP1F10
SCHEMBL5310358 0.86 SMN1; SMN2 (0.44) SMN1; SMN2TDP1F10NPC1ALDH1A1
SCHEMBL5311766 0.83 F10 (0.47) SMN1; SMN2TDP1F10NPC1ALDH1A1
SCHEMBL5308836 0.80 SCD (0.52) SMN1; SMN2RAB9A
SCHEMBL5313381 0.80 SCD (0.41) SMN1; SMN2NPC1ALDH1A1TSHRRAB9A
SCHEMBL5311767 0.79 SMN1; SMN2 (0.45) SMN1; SMN2TDP1F10NPC1ALDH1A1
SCHEMBL5307037 0.77 SCD (0.45) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL5312567 0.77 FAAH (0.37) ALDH1A1
SCHEMBL5311207 0.76 RAB9A (0.39) SMN1; SMN2TDP1NPC1ALDH1A1PKM
SCHEMBL5313442 0.76 KCNQ3 (0.42) SMN1; SMN2PKMRAB9AKMT2A

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
WO-2007046867-A2 PIPERIDINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-26 WO disclosed