SCHEMBL22913709

SCHEMBL22913709

c1ccc(-c2nc3ccccc3c3c2ccc2sc4ccc(-c5nc(-c6cccc(-c7ccc8ccccc8c7)c6)nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)n5)cc4c23)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.32
ATM Q13315 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL23197293 0.95 PTGER4 (0.31) PTGER4
SCHEMBL23197378 0.94 PTGER4 (0.31) PTGER4ATMKDM4EL3MBTL1
SCHEMBL22913739 0.92 ATM (0.36) PTGER4ATMMEN1KMT2AKDM4E
SCHEMBL22913696 0.92 PTGER4 (0.30) PTGER4
SCHEMBL22913803 0.91 PTGER4 (0.31) PTGER4ATMMEN1KMT2AKDM4E
SCHEMBL23197306 0.90 PTGER4 (0.33) PTGER4ATMMEN1KMT2AKDM4E
SCHEMBL22913675 0.89 MEN1 (0.38) ATMMEN1KMT2AKDM4E
SCHEMBL23197374 0.89 PTGER4 (0.33) PTGER4ATMMEN1KMT2AKDM4E
SCHEMBL22913657 0.88 L3MBTL1 (0.36) PTGER4ATMMEN1KMT2AKDM4E
SCHEMBL23197773 0.88

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-2021015497-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-01-28 WO disclosed