SCHEMBL25038432

SCHEMBL25038432

N#Cc1c(-c2ccc(-c3cccc4c3-c3cccc5cccc-4c35)cc2)cccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 10/20 0.38
▸ ADORA2A P29274 8/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ SQOR Q9Y6N5 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ GRM5 P41594 2/20 0.34

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
SCHEMBL25038382 0.94 ADORA1 (0.36) ADORA1ADORA2AHSD17B10L3MBTL1MAPK1
SCHEMBL25038378 0.88 ADORA1 (0.41) ADORA1ADORA2AHSD17B10MAPK1ADORA2B
SCHEMBL25037961 0.88 L3MBTL1 (0.38) ADORA1ADORA2AHSD17B10L3MBTL1MAPK1
SCHEMBL25036009 0.87 L3MBTL1 (0.39) ADORA1ADORA2AHSD17B10L3MBTL1MAPK1
SCHEMBL25038626 0.86 XDH (0.41) KDM4EALDH1A1NPSR1RXFP1GRM5
SCHEMBL26553151 0.86 ADORA1 (0.46) ADORA1ADORA2AHSD17B10L3MBTL1MAPK1
SCHEMBL25038352 0.85 CYP11B1 (0.36) KDM4EALDH1A1NPSR1RXFP1
SCHEMBL25036010 0.85 NPSR1 (0.34) ADORA1ADORA2AHSD17B10L3MBTL1MAPK1
SCHEMBL25038434 0.85 ADORA1 (0.42) ADORA1ADORA2AHSD17B10L3MBTL1MAPK1
SCHEMBL25038422 0.84 MEN1 (0.35) ADORA1ADORA2AHSD17B10MAPK1ADORA2B

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-2023018267-A1 NOVEL COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-02-16 — — WO disclosed
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