SCHEMBL22869079

SCHEMBL22869079

CC1(C)c2ccccc2-c2cc3cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)ccc3cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
CTRC Q99895 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
AKT1 P31749 1/20 0.34
GSTP1 P09211 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL22868562 0.97 MEN1 (0.40) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL22868564 0.97 MEN1 (0.40) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL22868504 0.96 MEN1 (0.39) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL22868786 0.96 MEN1 (0.39) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL22868845 0.96 MEN1 (0.39) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL22868616 0.94 MEN1 (0.37) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL22868615 0.94 MEN1 (0.37) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL17426999 0.92 MEN1 (0.41) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL21667496 0.91 MEN1 (0.41) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL22186539 0.91 MEN1 (0.42) MEN1ALDH1A1KMT2AKDM4ETP53

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-20210005822-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-07 US disclosed