SCHEMBL25036088

SCHEMBL25036088

N#Cc1cccc(-c2cccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)c2)c1-c1ccc(-c2ccc3c(c2)-c2cccc4cccc-3c24)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ FASN P49327 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ PTBP1 P26599 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GALK1 P51570 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMAD3 P84022 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL25036104 0.96 ATM (0.36) ADORA2AADORA1MEN1KMT2ASMN1; SMN2
SCHEMBL25038526 0.95 ADORA2A (0.37) ADORA2AADORA1FASNMEN1KMT2A
SCHEMBL25038663 0.93 ADORA2A (0.35) ADORA2AADORA1FASNMEN1KMT2A
SCHEMBL25038518 0.93 NPSR1 (0.36) FASNMEN1KMT2ASMN1; SMN2APAF1
SCHEMBL25038365 0.91 ADORA2A (0.35) ADORA2AADORA1FASNMEN1KMT2A
SCHEMBL25038521 0.90 XDH (0.39) MEN1KMT2ASMN1; SMN2APAF1NPC1
SCHEMBL25038350 0.90 FASN (0.38) ADORA2AADORA1FASNMEN1KMT2A
SCHEMBL25038468 0.90 CYP11B1 (0.34) ADORA2AADORA1FASNMEN1KMT2A
SCHEMBL25038415 0.90 ADORA2A (0.35) ADORA2AADORA1FASNMEN1KMT2A
SCHEMBL25038666 0.89 MEN1 (0.32) MEN1KMT2ASMN1; SMN2APAF1NPC1

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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