SCHEMBL25035982

SCHEMBL25035982

N#Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 14/20 0.43
▸ ABCB1 P08183 7/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ABCC1 P33527 3/20 0.39
▸ MYC P01106 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39

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
SCHEMBL18327642 0.90 L3MBTL1 (0.41) MEN1ALDH1A1KMT2ALMNATSHR
SCHEMBL20648224 0.89 ABCG2 (0.46) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL26220122 0.89 ABCG2 (0.46) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL18878327 0.88 ALDH1A1 (0.42) MEN1ALDH1A1KMT2ALMNATSHR
SCHEMBL18878321 0.88 ALDH1A1 (0.42) MEN1ALDH1A1KMT2ALMNATSHR
SCHEMBL19271444 0.88 ALDH1A1 (0.42) MEN1ALDH1A1KMT2ALMNATSHR
SCHEMBL16407281 0.88 ALDH1A1 (0.42) MEN1ALDH1A1KMT2ALMNATSHR
SCHEMBL25037882 0.87 ABCG2 (0.38) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL25823620 0.87 L3MBTL1 (0.41) MEN1ALDH1A1KMT2ACLK4LMNA
SCHEMBL25823529 0.87 L3MBTL1 (0.41) MEN1ALDH1A1KMT2ACLK4LMNA

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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