SCHEMBL22987200

SCHEMBL22987200

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
ADORA2A P29274 3/20 0.50
ADORA1 P30542 3/20 0.50
ADORA3 P0DMS8 2/20 0.50
ADORA2B P29275 2/20 0.50
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ATM Q13315 2/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ACP1 P24666 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
ABCG2 Q9UNQ0 3/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL14981132 0.98 L3MBTL1 (0.54) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL25686652 0.95 L3MBTL1 (0.52) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21524320 0.95 L3MBTL1 (0.52) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL23633694 0.95 L3MBTL1 (0.52) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL25682313 0.95 L3MBTL1 (0.52) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL22987149 0.95 L3MBTL1 (0.52) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL23590348 0.93 L3MBTL1 (0.50) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL23608932 0.93 L3MBTL1 (0.50) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21524321 0.93 L3MBTL1 (0.54) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL22186253 0.91 L3MBTL1 (0.48) L3MBTL1ADORA2AADORA1ADORA3ADORA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed
US-20210050528-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-02-18 US disclosed