SCHEMBL25037904

SCHEMBL25037904

N#Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)c(-c2ccccc2-c2cccc(-c3ccc4cccc5c4c3-c3ccccc3-5)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CLK4 Q9HAZ1 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ABCG2 Q9UNQ0 9/20 0.36
▸ ABCB1 P08183 5/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 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
SCHEMBL25036079 0.96 ABCG2 (0.38) MEN1ALDH1A1CYP1A2KMT2ACLK4
SCHEMBL25038585 0.96 ABCG2 (0.38) MEN1ALDH1A1CYP1A2KMT2ACLK4
SCHEMBL25038566 0.93 CYP11B1 (0.38) MEN1ALDH1A1CYP1A2KMT2ACLK4
SCHEMBL25038866 0.92 ABCG2 (0.34) MEN1ALDH1A1CYP1A2KMT2ACLK4
SCHEMBL25036071 0.91 KDM1A (0.37) MEN1ALDH1A1CYP1A2KMT2ACLK4
SCHEMBL25038463 0.91 ABCG2 (0.37) MEN1ALDH1A1CYP1A2KMT2ACLK4
SCHEMBL25038558 0.90 MEN1 (0.38) MEN1ALDH1A1CYP1A2KMT2ACLK4
SCHEMBL25038853 0.90 MEN1 (0.38) MEN1ALDH1A1CYP1A2KMT2ACLK4
SCHEMBL25038607 0.90 ABCG2 (0.37) MEN1ALDH1A1CYP1A2KMT2ACLK4
SCHEMBL25038364 0.90 ABCG2 (0.38) MEN1ALDH1A1CYP1A2KMT2ACLK4

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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