SCHEMBL27306480

SCHEMBL27306480

CCC1CC(C)(CC)Nc2c(SC)cc(Nc3ccccc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL27306360 0.85 MEN1 (0.35) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL27306243 0.84 MEN1 (0.34) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL27306472 0.84 MEN1 (0.34) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL27306356 0.83 MEN1 (0.33) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL27306608 0.82 — —
SCHEMBL27306614 0.80 ALDH1A1 (0.31) ALDH1A1ALOX15L3MBTL1
SCHEMBL27305904 0.76 ALDH1A1 (0.39) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL27307056 0.76 — —
SCHEMBL27306368 0.71 GAA (0.36) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL27306726 0.71 ALDH1A1 (0.30) ALDH1A1ALOX15L3MBTL1

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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