SCHEMBL22058808

SCHEMBL22058808

c1ccc(-c2cc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ KMT2A Q03164 8/20 0.41
▸ MEN1 O00255 7/20 0.41
▸ HPGD P15428 7/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ MAPT P10636 6/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ AVPR1A P37288 1/20 0.34
▸ MAPK1 P28482 2/20 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
SCHEMBL22058287 0.96 KMT2A (0.43) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL22058300 0.92 KDM4E (0.41) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL24788266 0.91 KDM4E (0.45) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL22058292 0.91 KDM4E (0.47) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL24753860 0.90 KDM4E (0.44) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL24752201 0.90 KDM4E (0.44) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL22058818 0.90 KDM4E (0.46) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL20290682 0.89 MEN1 (0.42) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL15783439 0.89 L3MBTL1 (0.44) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL24725268 0.89 KDM4E (0.50) KDM4EL3MBTL1ATMKMT2AMEN1

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-2020111585-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-06-04 — — WO disclosed
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