SCHEMBL21364396

SCHEMBL21364396

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cn6c(cc54)nc4ccccc46)cc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALK Q9UM73 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA2A P29274 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 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
SCHEMBL21622705 0.90 ALK (0.37) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL23917315 0.87 L3MBTL1 (0.44) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL21364407 0.85 KDM4E (0.35) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL23917083 0.85 KDM4E (0.38) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL21364398 0.85 NPC1 (0.33) KDM4EATML3MBTL1MAPTLMNA
SCHEMBL23917327 0.83 KDM4E (0.38) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL23917404 0.83 KDM4E (0.38) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL21622776 0.83 ALDH1A1 (0.37) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL23917084 0.81 HPGD (0.39) KDM4EATML3MBTL1ALKALDH1A1
SCHEMBL23917410 0.81 ALDH1A1 (0.36) KDM4EATML3MBTL1KMT2AMEN1

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
WO-2019177243-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2019-09-19 WO disclosed