SCHEMBL24924119

SCHEMBL24924119

CCC(C)c1ccc2c(c1)[nH]c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.42
PTGS2 P35354 2/20 0.38
MEN1 O00255 1/20 0.38
ABCC4 O15439 1/20 0.38
C5 P01031 1/20 0.38
MAPT P10636 1/20 0.38
PTGS1 P23219 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP17A1 P05093 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
PTGER4 P35408 2/20 0.35
NPY5R Q15761 4/20 0.34
TSPO P30536 1/20 0.34
MAT2A P31153 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL262898 0.95 KDM4E (0.40) KIF11KDM4EATML3MBTL1RXFP1
SCHEMBL262912 0.93 KIF11 (0.39) KIF11MEN1MAPTKMT2AKDM4E
SCHEMBL11921022 0.91 KDM4E (0.36) KIF11PTGS2MEN1ABCC4C5
SCHEMBL263236 0.91 KDM4E (0.36) KIF11PTGS2MEN1ABCC4C5
SCHEMBL262917 0.90 RXFP1 (0.41) KIF11MEN1MAPTKMT2AKDM4E
SCHEMBL262327 0.90 RXFP1 (0.43) KIF11KDM4EATML3MBTL1RXFP1
SCHEMBL24717391 0.89 KIF11 (0.39) KIF11PTGS2MEN1ABCC4C5
SCHEMBL262874 0.88 NPY5R (0.36) KIF11MEN1MAPTKMT2AKDM4E
SCHEMBL263055 0.88 KIF11 (0.39) KIF11MEN1MAPTKMT2AKDM4E
SCHEMBL263248 0.88 PTGER4 (0.37) KDM4EATML3MBTL1RXFP1PTGER4

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-2023008501-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 日鉄ケミカル&マテリアル株式会社 2023-02-02 WO disclosed