SCHEMBL5306753

SCHEMBL5306753

O=C(Nc1ccc(Cl)cn1)c1ccc(N2C=CCN(C(=O)c3ccccc3C(F)(F)F)C2=O)nc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
F10 P00742 10/20 0.41
SCD O00767 3/20 0.41
PTGES O14684 1/20 0.40
NAMPT P43490 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 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
SCHEMBL5308839 0.92 SCD (0.49) SMN1; SMN2SCDPTGESRAB9AHTT
SCHEMBL5307042 0.89 SCD (0.42) F10SCDPTGESNPC1RAB9A
SCHEMBL5310358 0.89 SMN1; SMN2 (0.44) SMN1; SMN2TDP1F10NAMPTNPC1
SCHEMBL5309749 0.85 SCD (0.41) SCDPTGESKMT2A
SCHEMBL5307539 0.85 SCD (0.47) SCD
SCHEMBL5306749 0.85 F10 (0.47) SMN1; SMN2TDP1F10SCD
SCHEMBL5309153 0.84 CYP1A2 (0.43) SMN1; SMN2SCDKMT2A
SCHEMBL5315061 0.83 SCD (0.45) SMN1; SMN2TDP1F10SCDPTGES
SCHEMBL5309835 0.82 SCD (0.51) SCD
SCHEMBL5314447 0.82 SCD (0.46) SCDPTGESKMT2A

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