SCHEMBL25036102

SCHEMBL25036102

N#Cc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1-c1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.36
▸ CYP11B1 P15538 3/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ FASN P49327 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
SCHEMBL25038429 0.95 PIM1 (0.38) PIM1CYP11B1CYP11B2ADORA2AADORA1
SCHEMBL25038470 0.94 PIM1 (0.37) PIM1CYP11B1CYP11B2ADORA2AADORA1
SCHEMBL25038472 0.91 ALDH1A1 (0.39) CYP11B1CYP11B2ALDH1A1LMNATHRB
SCHEMBL25038882 0.90 ALDH1A1 (0.38) CYP11B1CYP11B2ALDH1A1LMNATHRB
SCHEMBL25038486 0.90 PIM1 (0.38) PIM1CYP11B1CYP11B2ADORA2AADORA1
SCHEMBL25038455 0.89 CYP11B1 (0.38) CYP11B1CYP11B2ALDH1A1LMNATHRB
SCHEMBL25036048 0.88 ALDH1A1 (0.39) CYP11B1CYP11B2ALDH1A1LMNATHRB
SCHEMBL25036113 0.87 CYP11B1 (0.37) CYP11B1CYP11B2ALDH1A1LMNATHRB
SCHEMBL26591981 0.87 TRPA1 (0.41) CYP11B1CYP11B2ALDH1A1LMNATHRB
SCHEMBL25038879 0.87 CYP11B1 (0.37) PIM1CYP11B1CYP11B2ALDH1A1LMNA

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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