SCHEMBL5310358

SCHEMBL5310358

O=C(Nc1ccc(Cl)cn1)c1ccc(N2C=CCN(C(=O)c3cccc(F)c3C(F)(F)F)C2=O)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 3/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
F10 P00742 9/20 0.39
SCN9A Q15858 2/20 0.39
BACE1 P56817 1/20 0.38
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL5306753 0.89 SMN1; SMN2 (0.43) SMN1; SMN2TDP1RAB9ANPC1F10
SCHEMBL5310356 0.86 SMN1; SMN2 (0.44) SMN1; SMN2TDP1RAB9ATSHRNPC1
SCHEMBL5311767 0.83 SMN1; SMN2 (0.45) SMN1; SMN2TDP1RAB9ATSHRNPC1
SCHEMBL5308839 0.81 SCD (0.49) SMN1; SMN2RAB9A
SCHEMBL5313384 0.80 SCD (0.40) CRACR2A
SCHEMBL5311766 0.79 F10 (0.47) SMN1; SMN2TDP1RAB9ATSHRNPC1
SCHEMBL5307042 0.78 SCD (0.42) RAB9ANPC1F10MEN1KMT2A
SCHEMBL5313445 0.77 KCNQ3 (0.43) SMN1; SMN2RAB9AKMT2A
SCHEMBL5312568 0.77 FAAH (0.37) SMN1; SMN2ALDH1A1KMT2ACRACR2A
SCHEMBL5311209 0.76 RAB9A (0.38) SMN1; SMN2RAB9ANPC1ALDH1A1PKM

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