SCHEMBL27307268

SCHEMBL27307268

CCC(C)Nc1cc(SC)c2c(c1)C(C)C(C)C(C)(CC)N2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL27307147 0.91 — —
SCHEMBL27307282 0.90 ALDH1A1 (0.31) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27307152 0.85 ALDH1A1 (0.34) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27307273 0.84 ALDH1A1 (0.33) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27307158 0.82 ALDH1A1 (0.32) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27307275 0.81 ALDH1A1 (0.31) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27307056 0.80 — —
SCHEMBL27306120 0.78 ALDH1A1 (0.33) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27306614 0.76 ALDH1A1 (0.31) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27307058 0.75 — —

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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