SCHEMBL23936633

SCHEMBL23936633

CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2-c2cc3ccc4ccccc4c3cc2C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.33
MAPT P10636 7/20 0.33
HPGD P15428 5/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPK1 P28482 3/20 0.33
TSHR P16473 3/20 0.33
HSD17B10 Q99714 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATM Q13315 1/20 0.33
CASP1 P29466 2/20 0.33
ALOX15 P16050 1/20 0.33
CASP7 P55210 1/20 0.33
MEN1 O00255 3/20 0.32

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
SCHEMBL23936319 0.96 KMT2A (0.35) ALDH1A1MAPTHPGDKMT2AKDM4E
SCHEMBL23936637 0.93 TSHR (0.32) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL23936317 0.89 MAPK1 (0.33) ALDH1A1MAPTHPGDKMT2AKDM4E
SCHEMBL23936699 0.89 PDK2 (0.34) ALDH1A1MAPTHPGDKMT2AKDM4E
SCHEMBL23936267 0.89 TERT (0.34) ALDH1A1MAPTHPGDKMT2AKDM4E
SCHEMBL23936192 0.88 TERT (0.31) ALDH1A1MAPTHPGDKDM4ETSHR
SCHEMBL23936795 0.88 ALDH1A1 (0.33) ALDH1A1MAPTHPGDKMT2AKDM4E
SCHEMBL23936632 0.87 ALDH1A1 (0.40) ALDH1A1MAPTHPGDKMT2AKDM4E
SCHEMBL26438293 0.87 PDK2 (0.36) ALDH1A1MAPTHPGDKMT2AKDM4E
SCHEMBL26438269 0.87 PDK2 (0.33) ALDH1A1MAPTHPGDKMT2AKDM4E

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