SCHEMBL25038877

SCHEMBL25038877

N#Cc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6c(cccc46)-c4ccccc4-5)n3)c2)cc1-c1cccc(-c2cccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ XDH P47989 1/20 0.36
▸ ALDH1A1 P00352 7/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ TSHR P16473 4/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ LMNA P02545 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAPK1 P28482 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ TRPA1 O75762 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
SCHEMBL25038872 0.93 XDH (0.37) CYP11B1CYP11B2XDHALDH1A1KMT2A
SCHEMBL25038493 0.93 XDH (0.39) CYP11B1CYP11B2XDHALDH1A1KMT2A
SCHEMBL25038466 0.92 CYP11B1 (0.40) CYP11B1CYP11B2XDHALDH1A1KMT2A
SCHEMBL25038545 0.92 XDH (0.40) CYP11B1CYP11B2XDHALDH1A1KMT2A
SCHEMBL25036121 0.91 ALDH1A1 (0.36) CYP11B1CYP11B2XDHALDH1A1KMT2A
SCHEMBL25037994 0.91 XDH (0.34) CYP11B1CYP11B2XDHALDH1A1KMT2A
SCHEMBL25038874 0.91 ALDH1A1 (0.37) CYP11B1CYP11B2XDHALDH1A1KMT2A
SCHEMBL25038474 0.90 MCL1 (0.40) CYP11B1CYP11B2XDHALDH1A1KMT2A
SCHEMBL25038414 0.90 XDH (0.41) CYP11B1CYP11B2XDHALDH1A1KMT2A
SCHEMBL25036110 0.90 XDH (0.41) CYP11B1CYP11B2XDHALDH1A1KMT2A

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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