SCHEMBL25038440

SCHEMBL25038440

N#Cc1c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cccc1-c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ CYP1A2 P05177 4/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CLK4 Q9HAZ1 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ADORA2A P29274 4/20 0.41
▸ ADORA1 P30542 4/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ SQOR Q9Y6N5 3/20 0.40
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ KDM4E B2RXH2 3/20 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
SCHEMBL25038454 0.91 PIM1 (0.43) MEN1KMT2AALDH1A1HSD17B10CYP1A2
SCHEMBL26553151 0.90 ADORA1 (0.46) MEN1KMT2AALDH1A1HSD17B10ADORA2A
SCHEMBL25774045 0.90 ADORA2A (0.49) MEN1KMT2AALDH1A1HSD17B10CYP1A2
SCHEMBL25038359 0.89 PIM1 (0.41) MEN1KMT2AALDH1A1HSD17B10CYP1A2
SCHEMBL25038383 0.89 PIM1 (0.41) MEN1KMT2AALDH1A1HSD17B10CYP1A2
SCHEMBL25035999 0.88 HSD17B10 (0.35) MEN1KMT2AALDH1A1HSD17B10CYP1A2
SCHEMBL16641469 0.87 MEN1 (0.43) MEN1KMT2AALDH1A1HSD17B10CYP1A2
SCHEMBL25774839 0.86 ALDH1A1 (0.44) MEN1KMT2AALDH1A1HSD17B10CYP1A2
SCHEMBL24406829 0.85 SQOR (0.45) MEN1KMT2AALDH1A1HSD17B10CYP1A2
SCHEMBL25038451 0.84 PIM1 (0.40) MEN1KMT2AALDH1A1HSD17B10CYP1A2

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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