SCHEMBL25036003

SCHEMBL25036003

N#Cc1c(-c2ccc(-c3ccccc3-c3cc4c5c(cccc5c3)-c3ccccc3-4)cc2)cccc1-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2-c2cc3ccccc3c3ccccc23)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PIM1 P11309 3/20 0.35
▸ SQOR Q9Y6N5 4/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ ADORA1 P30542 6/20 0.32
▸ ADORA2A P29274 5/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL25038865 0.88 ABCG2 (0.39) HSD17B10L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL25037962 0.87 HSD17B10 (0.36) HSD17B10L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL25038654 0.87 ALDH1A1 (0.37) HSD17B10L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL25038554 0.87 XDH (0.39) HSD17B10L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL25038459 0.87 ALDH1A1 (0.37) HSD17B10L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL25037985 0.87 HSD17B10 (0.36) HSD17B10L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL25036004 0.86 CYP11B1 (0.38) HSD17B10L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL25037974 0.85 PIM1 (0.39) HSD17B10L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL25038388 0.84 ABCG2 (0.41) HSD17B10L3MBTL1MAPK1ABCG2ADORA1
SCHEMBL25038444 0.83 PIM1 (0.41) HSD17B10L3MBTL1ALDH1A1TSHRMAPK1

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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