SCHEMBL11525691

SCHEMBL11525691

O=C(Nc1ccc2ccccc2c1)NC12CN3CN(CN(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 3/20 0.47
HTT P42858 3/20 0.47
POLB P06746 2/20 0.47
CA2 P00918 2/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX1 P07099 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 1/20 0.44
EPHX2 P34913 2/20 0.44

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
SCHEMBL11524369 0.78 KMT2A (0.59) MAPTNPC1RAB9AHTTPOLB
SCHEMBL11526361 0.77 HTT (0.52) MAPTNPC1RAB9AHTTPOLB
SCHEMBL9547503 0.77 RAB9A (0.89) MAPTNPC1RAB9AKDM4EHTT
SCHEMBL3796561 0.76 EPHX2 (0.58) MAPTNPC1RAB9AHTTMEN1
SCHEMBL3789018 0.72 EPHX2 (0.57) MAPTNPC1RAB9AHTTMEN1
SCHEMBL11049543 0.72 MAPT (1.00) MAPTNPC1RAB9AHTTPOLB
SCHEMBL30697002 0.72 MAPT (1.00) MAPTNPC1RAB9AHTTPOLB
SCHEMBL14470506 0.71 IMPDH2 (0.73) MAPTNPC1RAB9AKDM4ECA2
SCHEMBL8325083 0.71 RAB9A (0.71) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL8596702 0.71 RAB9A (0.71) MAPTNPC1RAB9AKDM4EHTT

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
US-4168260-A PROTECTION AGAINST DEGRADATION BY HEAT OR LIGHT HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-18 US disclosed