SCHEMBL31415248

SCHEMBL31415248

Cn1ccc(-c2cc(N)ccc2C#N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ CHEK1 O14757 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ NSD2 O96028 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIP5K1C O60331 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ LRRK2 Q5S007 3/20 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
SCHEMBL25263600 0.81 SCN9A (0.48) KDM4EALDH1A1LMNACHEK1KMT2A
SCHEMBL29697410 0.79 KEAP1 (0.39) KEAP1KDM4EALDH1A1CHEK1GRM5
SCHEMBL29061490 0.79 KEAP1 (0.39) KEAP1KDM4EALDH1A1CHEK1GRM5
SCHEMBL30510116 0.78 KMT2A (0.51) KEAP1KDM4EALDH1A1LMNACHEK1
SCHEMBL25380032 0.78 KMT2A (0.51) KEAP1KDM4EALDH1A1LMNACHEK1
SCHEMBL31415329 0.77 KEAP1 (0.55) KEAP1KDM4EALDH1A1LMNAKMT2A
SCHEMBL25378811 0.77 KDM4E (0.45) KEAP1KDM4EALDH1A1LMNACHEK1
SCHEMBL26199143 0.77 SCN4A (0.48) KEAP1KDM4EALDH1A1CHEK1KMT2A
SCHEMBL31415382 0.76 KEAP1 (0.53) KEAP1KDM4EALDH1A1LMNAKMT2A
SCHEMBL31415370 0.75 KEAP1 (0.42) KEAP1KDM4EALDH1A1LMNAGRM5

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-2025054368-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 — — WO disclosed
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