SCHEMBL20934392

SCHEMBL20934392

c1ccc(-c2cc(-c3ccc4c(c3)Oc3ccccc3O4)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.41
▸ KMT2A Q03164 8/20 0.41
▸ MEN1 O00255 7/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ HPGD P15428 6/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ ADORA2A P29274 4/20 0.41
▸ ADORA1 P30542 4/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL17170358 0.92 KMT2A (0.40) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL18969163 0.92 KMT2A (0.40) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL8400350 0.87 KDM4E (0.53) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL31666 0.87 KDM4E (0.53) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL9881125 0.87 KDM4E (0.53) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL6374508 0.87 KDM4E (0.53) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL16870928 0.86 EDNRA (0.43) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL24812016 0.86 KDM4E (0.52) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL18708348 0.86 KDM4E (0.52) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL8400367 0.86 KDM4E (0.52) MAPTKMT2AMEN1ALDH1A1HPGD

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-2019078461-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 — — WO disclosed
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