SCHEMBL27305997

SCHEMBL27305997

CSc1cc(NC(C)C)cc2c1NC(C)(C)C=C2C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ KDM4E B2RXH2 6/20 0.36
▸ HPGD P15428 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PGR P06401 4/20 0.32
▸ AR P10275 2/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GAA P10253 1/20 0.31

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
SCHEMBL27306014 0.87 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL27305909 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL27305913 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL27305902 0.79 PGR (0.40) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL27306129 0.76 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL27306488 0.76 — —
SCHEMBL27307145 0.74 — —
SCHEMBL27306004 0.70 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL27306124 0.68 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL27306008 0.68 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDMAPTHSD17B10

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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