SCHEMBL25038458

SCHEMBL25038458

N#Cc1ccc(-c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)n3)c2)cc1-c1ccccc1-c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ ALDH1A1 P00352 8/20 0.36
▸ LMNA P02545 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ HSD17B10 Q99714 5/20 0.36
▸ CYP1A2 P05177 5/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ TSHR P16473 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ CLK4 Q9HAZ1 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TGFBR1 P36897 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ MAPK1 P28482 4/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CASP1 P29466 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
SCHEMBL25038475 0.92 CYP11B1 (0.38) CYP11B1CYP11B2ALDH1A1LMNATHRB
SCHEMBL25036139 0.91 MCL1 (0.40) CYP11B1CYP11B2ALDH1A1LMNAHSD17B10
SCHEMBL25036151 0.89 ALDH1A1 (0.36) CYP11B1CYP11B2ALDH1A1LMNATHRB
SCHEMBL25036113 0.88 CYP11B1 (0.37) CYP11B1CYP11B2ALDH1A1LMNATHRB
SCHEMBL25038455 0.88 CYP11B1 (0.38) CYP11B1CYP11B2ALDH1A1LMNATHRB
SCHEMBL25038495 0.87 PIM1 (0.38) CYP11B1CYP11B2ALDH1A1LMNATHRB
SCHEMBL25038486 0.86 PIM1 (0.38) CYP11B1CYP11B2ALDH1A1LMNATHRB
SCHEMBL25038880 0.86 PIM1 (0.39) CYP11B1CYP11B2ALDH1A1LMNATHRB
SCHEMBL25775148 0.86 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1LMNATHRB
SCHEMBL25038568 0.85 XDH (0.37) CYP11B1CYP11B2ALDH1A1LMNATHRB

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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