SCHEMBL25038596

SCHEMBL25038596

N#Cc1cc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5cc6ccccc6c6ccccc56)n4)c3)c2)ccc1-c1cccc(-c2ccc3c(c2)-c2cccc4cccc-3c24)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 5/20 0.38
▸ ALDH1A1 P00352 6/20 0.36
▸ TSHR P16473 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL25038542 0.96 XDH (0.39) XDHALDH1A1TSHRHSD17B10MAPK1
SCHEMBL25038644 0.94 XDH (0.40) XDHALDH1A1TSHRHSD17B10MAPK1
SCHEMBL25038631 0.94 XDH (0.40) XDHALDH1A1TSHRHSD17B10MAPK1
SCHEMBL25036121 0.94 ALDH1A1 (0.36) XDHALDH1A1TSHRHSD17B10MAPK1
SCHEMBL25038589 0.94 XDH (0.41) XDHALDH1A1TSHRHSD17B10MAPK1
SCHEMBL25038524 0.91 ALDH1A1 (0.34) XDHALDH1A1TSHRHSD17B10MAPK1
SCHEMBL25038586 0.90 XDH (0.46) XDHALDH1A1TSHRHSD17B10MAPK1
SCHEMBL25038874 0.90 ALDH1A1 (0.37) XDHALDH1A1TSHRHSD17B10MAPK1
SCHEMBL25038481 0.90 XDH (0.40) XDHALDH1A1TSHRHSD17B10MAPK1
SCHEMBL25038545 0.89 XDH (0.40) XDHALDH1A1TSHRHSD17B10MAPK1

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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