SCHEMBL20933162

SCHEMBL20933162

c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cccc6c5Oc5c(ccc7c5-c5ccccc5C7(c5ccccc5)c5ccccc5)O6)cc4)nc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
NTSR1 P30989 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA3 P0DMS8 1/20 0.31
THRB P10828 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL20933316 0.98 MEN1 (0.34) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20933166 0.96 MAPT (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20933838 0.95 KDM4E (0.35) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20934314 0.94 KDM4E (0.33) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20933158 0.93 MEN1 (0.34) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20933790 0.93
SCHEMBL20934027 0.93 MEN1 (0.35) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20933580 0.93
SCHEMBL20934022 0.92 MAPT (0.33) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20933839 0.92 MEN1 (0.34) MEN1KMT2AMAPTALDH1A1HPGD

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