SCHEMBL26581889

SCHEMBL26581889

N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ ABCG2 Q9UNQ0 5/20 0.44
▸ CYP11B1 P15538 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL26553207 0.93 CYP11B1 (0.43) ALDH1A1KDM4EHTTRXFP1LMNA
SCHEMBL25775148 0.93 CYP11B1 (0.43) ALDH1A1KDM4EHTTRXFP1LMNA
SCHEMBL25774348 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EHTTRXFP1LMNA
SCHEMBL26581951 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EHTTRXFP1LMNA
SCHEMBL26581886 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EHTTRXFP1LMNA
SCHEMBL25775108 0.87 CYP11B1 (0.46) ALDH1A1KDM4EHTTRXFP1LMNA
SCHEMBL25775099 0.87 CYP11B1 (0.46) ALDH1A1KDM4EHTTRXFP1LMNA
SCHEMBL25774347 0.87 CYP11B1 (0.46) ALDH1A1KDM4EHTTRXFP1LMNA
SCHEMBL26553095 0.87 CYP11B1 (0.48) ALDH1A1KDM4EHTTRXFP1LMNA
SCHEMBL26582014 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EHTTRXFP1LMNA

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-2023195735-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-10-12 — — WO disclosed
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