SCHEMBL16871023

SCHEMBL16871023

Nc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.70
▸ KMT2A Q03164 6/20 0.70
▸ ALDH1A1 P00352 4/20 0.70
▸ MAPT P10636 4/20 0.70
▸ KDM4E B2RXH2 4/20 0.70
▸ HPGD P15428 3/20 0.70
▸ LMNA P02545 2/20 0.70
▸ MAOA P21397 1/20 0.65
▸ GLA P06280 1/20 0.64
▸ ADORA2A P29274 2/20 0.55
▸ ADORA1 P30542 2/20 0.55
▸ RAB9A P51151 3/20 0.52
▸ NPC1 O15118 2/20 0.50
▸ ASIC3 Q9UHC3 2/20 0.50
▸ MECP2 P51608 1/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ ATAD2 Q6PL18 1/20 0.49

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
SCHEMBL15684033 0.94 MEN1 (0.73) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL14389682 0.92 MEN1 (0.70) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL14426230 0.85 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2623441 0.85 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL14425883 0.85 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL14426237 0.85 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL13203099 0.85 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8480067 0.85 MEN1 (0.69) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL15811592 0.84 MEN1 (0.96) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL27415476 0.84 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTKDM4E

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-2015099438-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2015-07-02 — — WO disclosed
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