SCHEMBL5311767

SCHEMBL5311767

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
F10 P00742 11/20 0.40
NAMPT P43490 1/20 0.39
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CRACR2A Q9BSW2 1/20 0.37

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
SCHEMBL5315061 0.89 SCD (0.45) SMN1; SMN2TDP1RAB9ANPC1F10
SCHEMBL5311766 0.84 F10 (0.47) SMN1; SMN2TDP1RAB9ANPC1TSHR
SCHEMBL5310358 0.83 SMN1; SMN2 (0.44) SMN1; SMN2TDP1RAB9ANPC1TSHR
SCHEMBL5307546 0.81 SCD (0.45) SMN1; SMN2RAB9ANPC1TSHRALDH1A1
SCHEMBL5307322 0.80 SCD (0.54) SMN1; SMN2RAB9AALDH1A1HTT
SCHEMBL5312064 0.79 SCD (0.43) CRACR2A
SCHEMBL5310356 0.79 SMN1; SMN2 (0.44) SMN1; SMN2TDP1RAB9ANPC1TSHR
SCHEMBL5309113 0.78 SCD (0.47) RAB9ANPC1MEN1KMT2A
SCHEMBL5306277 0.77 FAAH (0.37) SMN1; SMN2ALDH1A1KMT2ACRACR2AHTT
SCHEMBL5312273 0.77 KCNQ3 (0.44) SMN1; SMN2RAB9AALDH1A1KMT2AHTT

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