SCHEMBL25038543

SCHEMBL25038543

N#Cc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)n3)c2)ccc1-c1ccccc1-c1cccc(-c2cccc3c2ccc2ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.41
▸ MCL1 Q07820 1/20 0.38
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CLK4 Q9HAZ1 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
SCHEMBL25037933 0.97 XDH (0.39) XDHMCL1CYP1A2CYP2C9CYP2C19
SCHEMBL25038634 0.94 XDH (0.45) XDHMCL1CYP1A2CYP2C9CYP2C19
SCHEMBL25038587 0.93 XDH (0.39) XDHMCL1CYP1A2CYP2C9CYP2C19
SCHEMBL25038883 0.91 MCL1 (0.35) XDHMCL1CYP1A2CYP2C9CYP2C19
SCHEMBL25038571 0.91 XDH (0.39) XDHMCL1CYP1A2CYP2C9CYP2C19
SCHEMBL25038641 0.91 ALDH1A1 (0.40) XDHMCL1CYP1A2CYP2C9CYP2C19
SCHEMBL25038550 0.91 ALDH1A1 (0.40) XDHMCL1CYP1A2CYP2C9CYP2C19
SCHEMBL25037884 0.91 XDH (0.45) XDHMCL1CYP1A2CYP2C9CYP2C19
SCHEMBL25038599 0.91 XDH (0.44) XDHMCL1CYP1A2CYP2C9CYP2C19
SCHEMBL25038544 0.90 XDH (0.39) XDHMCL1CYP1A2CYP2C9CYP2C19

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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