SCHEMBL21743633

SCHEMBL21743633

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5Sc5ccccc5C6(c5ccccc5)c5ccccc5)cc4)n3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
GLA P06280 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL21743373 0.99 MEN1 (0.33) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL21743644 0.95 MEN1 (0.31) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL21743579 0.95 ADORA3 (0.33) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL21743629 0.95 ADORA3 (0.34) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL21743630 0.94 MEN1 (0.32) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL21743665 0.93 MEN1 (0.31) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL21743375 0.92 ADORA3 (0.35) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL21743623 0.91 GP6 (0.31) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL21743640 0.91 GP6 (0.31) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL23814913 0.91 L3MBTL1 (0.33) MEN1MAPTKMT2AKDM4ELMNA

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-2020036313-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-20 WO disclosed