SCHEMBL23936333

SCHEMBL23936333

CC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cccc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDK2 Q15119 3/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP11B1 P15538 2/20 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
SCHEMBL23936449 0.93 CYP1A1 (0.39) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL23936285 0.93 MEN1 (0.40) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL23936198 0.93 PDK2 (0.40) MEN1ALDH1A1KMT2AKDM4EPDK2
SCHEMBL23936438 0.93 PDK2 (0.40) MEN1ALDH1A1KMT2AKDM4EPDK2
SCHEMBL26438212 0.89 PDK2 (0.42) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL23936755 0.88 PDK2 (0.38) MEN1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL26438223 0.88 PDK2 (0.41) MEN1ALDH1A1KMT2AKDM4ETP53
SCHEMBL23936193 0.88 PDK2 (0.38) MEN1ALDH1A1KMT2AKDM4EPDK2
SCHEMBL23936171 0.88 MEN1 (0.39) MEN1ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL26438224 0.88 PDK2 (0.43) 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