SCHEMBL22109950

SCHEMBL22109950

BrC1C=CC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ADORA2A P29274 3/20 0.35
▸ ADORA1 P30542 3/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HTT P42858 3/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ ACP1 P24666 2/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.31
▸ TSHR P16473 2/20 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
SCHEMBL18903983 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL18698100 0.81 L3MBTL1 (0.43) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL20088892 0.80 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL21870925 0.79 ALDH1A1 (0.39) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL18839982 0.78 L3MBTL1 (0.37) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL18863457 0.77 L3MBTL1 (0.36) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL24727387 0.75 L3MBTL1 (0.38) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL24521246 0.74 L3MBTL1 (0.39) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL23020142 0.71 SORD (0.37) L3MBTL1KMT2AALDH1A1HTTMAPK1
SCHEMBL25740758 0.69 MEN1 (0.32) MEN1KMT2AALDH1A1MAPTHPGD

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
EP-2949724-B1 LIGHT EMITTING MATERIAL AND ORGANIC LIGHT EMITTING ELEMENT USING SAME KYULUX INC (JP) 2020-06-17 — — EP disclosed
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