SCHEMBL8296604

SCHEMBL8296604

O=C(O)c1cncn1CCOC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4C Q9H3R0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
P2RX3 P56373 6/20 0.34
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
PLK1 P53350 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL5824115 0.87 NPC1 (0.41) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL15008247 0.80 KDM4C (0.42) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL8296608 0.77 MEN1 (0.51) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL5872843 0.74 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL8296605 0.74 MEN1 (0.53) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL4191329 0.74 MEN1 (0.45) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL4181795 0.74 MEN1 (0.45) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL24103862 0.73 MEN1 (0.55) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL23216316 0.73 MEN1 (0.58) MEN1KMT2AKDM4CL3MBTL1P2RX3
SCHEMBL30790733 0.72 MCL1 (0.49) MEN1KMT2AKDM4CEP300CREBBP

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-2005009965-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed