SCHEMBL24361663

SCHEMBL24361663

c1ccc2c(c1)cc(Nc1cccc3oc4ccccc4c13)c1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP3A4 P08684 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
DUSP3 P51452 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EPHX2 P34913 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL23524764 0.88 TDP1 (0.47) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL27382731 0.85 MAPT (0.46) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL28887327 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL24825804 0.84 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL29450789 0.83 EPHX2 (0.53) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL15790419 0.83 EPHX2 (0.53) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL22189174 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL24327893 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL20181893 0.83 MAPT (0.45) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL23258270 0.80 DUSP3 (0.41) ALDH1A1SMN1; SMN2KMT2AKDM4ECYP3A4

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
WO-2022086168-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-04-28 WO disclosed
WO-2022086171-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-04-28 WO disclosed