SCHEMBL25875174

SCHEMBL25875174

N#Cc1ccc(-c2ccccc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-c3nc4ccccc4s3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ APP P05067 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ PDE10A Q9Y233 2/20 0.43
▸ ABCG2 Q9UNQ0 5/20 0.41
▸ ABCB1 P08183 2/20 0.41
▸ PAX8 Q06710 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40

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
SCHEMBL25874447 0.86 APP (0.46) MAPTAPPRAB9AALDH1A1L3MBTL1
SCHEMBL25875198 0.85 APP (0.61) THRBMAPTAPPRAB9AALDH1A1
SCHEMBL25864227 0.84 RAB9A (0.44) THRBMAPTAPPRAB9AALDH1A1
SCHEMBL25874598 0.81 MEN1 (0.44) THRBMAPTAPPRAB9AALDH1A1
SCHEMBL20404862 0.81 ABCG2 (0.51) ABCG2ABCB1
SCHEMBL31287309 0.79 RAB9A (0.60) MAPTAPPRAB9AALDH1A1L3MBTL1
SCHEMBL4412613 0.79 RAB9A (0.64) MAPTAPPRAB9AALDH1A1L3MBTL1
SCHEMBL25874443 0.79 RAB9A (0.67) THRBMAPTAPPRAB9AALDH1A1
SCHEMBL29928086 0.78 APP (0.63) MAPTAPPRAB9AALDH1A1L3MBTL1
SCHEMBL6807684 0.78 APP (0.63) MAPTAPPRAB9AALDH1A1L3MBTL1

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-2023140649-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-27 — — WO disclosed
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