SCHEMBL23936285

SCHEMBL23936285

CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cccc2C1(C)C

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
L3MBTL1 Q9Y468 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 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
SCHEMBL23936333 0.93 MEN1 (0.36) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL23936139 0.90 ALDH1A1 (0.36) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL23936449 0.90 CYP1A1 (0.39) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL23936127 0.89 L3MBTL1 (0.41) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL23936114 0.89 L3MBTL1 (0.43) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL23936216 0.88 HPGD (0.39) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL23936653 0.87 ALDH1A1 (0.40) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL24122798 0.86 MEN1 (0.39) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL18463296 0.86 MEN1 (0.36) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL22059310 0.86 MEN1 (0.40) 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-20210328150-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed