SCHEMBL22869072

SCHEMBL22869072

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5c(c4c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 2/20 0.34
ATM Q13315 2/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GLA P06280 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
SCHEMBL22868801 0.99 MEN1 (0.36) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22868518 0.97 MAPT (0.35) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22868610 0.97 MAPT (0.35) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22868695 0.96 PDK2 (0.38) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22868793 0.95 ALDH1A1 (0.37) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22869066 0.95 PDK2 (0.37) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22868519 0.93 KDM4E (0.36) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22869058 0.92 MAPT (0.40) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22868881 0.92 HSD17B1 (0.35) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22868950 0.91 MAPT (0.40) MAPTMEN1KMT2AKDM4ELMNA

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