SCHEMBL25037994

SCHEMBL25037994

N#Cc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6c(cccc46)-c4ccccc4-5)n3)c2)c1-c1cccc(-c2cccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.34
▸ KMT2A Q03164 5/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ LMNA P02545 4/20 0.33
▸ CYP1A2 P05177 4/20 0.33
▸ TSHR P16473 4/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL25038524 0.91 ALDH1A1 (0.34) XDHKMT2AALDH1A1MEN1LMNA
SCHEMBL25038518 0.91 NPSR1 (0.36) XDHKMT2AALDH1A1MEN1LMNA
SCHEMBL25038877 0.91 CYP11B1 (0.36) XDHKMT2AALDH1A1MEN1LMNA
SCHEMBL25038667 0.91 ATM (0.39) XDHKMT2AALDH1A1MEN1LMNA
SCHEMBL25037997 0.90 ALDH1A1 (0.34) XDHKMT2AALDH1A1MEN1LMNA
SCHEMBL25038521 0.90 XDH (0.39) XDHKMT2AALDH1A1MEN1LMNA
SCHEMBL25036104 0.90 ATM (0.36) XDHKMT2AALDH1A1MEN1LMNA
SCHEMBL25038403 0.90 MCL1 (0.42) XDHKMT2AALDH1A1MEN1LMNA
SCHEMBL25036074 0.89 XDH (0.41) XDHKMT2AALDH1A1MEN1LMNA
SCHEMBL25038545 0.89 XDH (0.40) XDHKMT2AALDH1A1MEN1LMNA

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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