SCHEMBL1095672

SCHEMBL1095672

CCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 4/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
USP2 O75604 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.44
NAMPT P43490 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL1096462 0.99 SMN1; SMN2 (0.52) SMN1; SMN2MAPTLMNAHTTKDM4E
SCHEMBL1095120 0.85 SCD (0.59) SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL1094940 0.85 SCD (0.59) SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL1095707 0.84 LMNA (0.44) SMN1; SMN2LMNAHTTKDM4EL3MBTL1
SCHEMBL1094544 0.83 LMNA (0.44) SMN1; SMN2LMNAHTTKDM4EL3MBTL1
SCHEMBL1095070 0.81 HSD17B10 (0.53) SMN1; SMN2MAPTLMNAKDM4EL3MBTL1
SCHEMBL2429706 0.80 SCD (0.58) SMN1; SMN2LMNAHTTKDM4E
SCHEMBL1096540 0.80 HSD17B10 (0.52) SMN1; SMN2MAPTLMNAKDM4EL3MBTL1
SCHEMBL3667645 0.80 SCD (0.57) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL3671799 0.79 SCD (0.56) SMN1; SMN2MAPTLMNANPC1RAB9A

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
US-8153636-B2 Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-04-10 US disclosed
EP-2316825-A1 Pyridyl derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed