SCHEMBL22293443

SCHEMBL22293443

C1=CC(c2ccc(N(c3ccccc3)c3ccc4oc5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)=CCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20844276 0.99 PLA2G2A (0.33) PLA2G2APLA2G4AKDM4EMEN1NPC1
SCHEMBL19533738 0.92 PLA2G2A (0.40) PLA2G2APLA2G4AKDM4EMEN1NPC1
SCHEMBL19142078 0.89 PLA2G2A (0.34) PLA2G2APLA2G4A
SCHEMBL26580306 0.89 AHR (0.35) PLA2G2APLA2G4AKDM4EMEN1NPC1
SCHEMBL20844295 0.88 KDM4E (0.30) PLA2G2APLA2G4AKDM4EMEN1NPC1
SCHEMBL25529648 0.87 CA12 (0.35) PLA2G2APLA2G4AKDM4EALDH1A1MAPT
SCHEMBL25556901 0.86
SCHEMBL22753931 0.85 ALDH1A1 (0.37) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL19942431 0.85 ALDH1A1 (0.37) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL14277803 0.85 ALDH1A1 (0.37) KDM4EMEN1ALDH1A1MAPTKMT2A

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
EP-3579292-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-08-05 EP disclosed