SCHEMBL27306369

SCHEMBL27306369

CCC1=CC(C)(CC)Nc2c(Cl)cc(Nc3ccccc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.32
▸ MAPK13 O15264 1/20 0.30
▸ MAPK12 P53778 1/20 0.30
▸ MAPK11 Q15759 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30
▸ STK10 O94804 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ SLK Q9H2G2 1/20 0.30

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
SCHEMBL27306239 0.87 APP (0.35) APP
SCHEMBL27306358 0.87 APP (0.32) APP
SCHEMBL27306478 0.84 APP (0.30) APP
SCHEMBL27306242 0.84 STK10 (0.36) APPSTK10GSK3BSLK
SCHEMBL27305898 0.76 ALDH1A1 (0.42) APPMAPK13MAPK12MAPK11MAPK14
SCHEMBL27306933 0.75 MAPK13 (0.33) APPMAPK13MAPK12MAPK11MAPK14
SCHEMBL27306728 0.73 ALDH1A1 (0.33) —
SCHEMBL27306365 0.71 EGFR (0.37) —
SCHEMBL27306816 0.70 ALDH1A1 (0.38) —
SCHEMBL27306481 0.67 — —

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-2023235855-A1 QUINOLINEAMINE ANTIDEGRADANT COMPOUNDS AND USES THEREOF FLEXSYS AMERICA L.P. (US) 2023-12-07 — — WO disclosed
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