SCHEMBL27306125

SCHEMBL27306125

CCc1cc(NC(C)CC)cc2c1NC(C)(C)CC2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AR P10275 6/20 0.35
▸ PGR P06401 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 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
SCHEMBL27306007 0.86 PGR (0.35) THRBTDP1ARPGRALDH1A1
SCHEMBL27306120 0.83 ALDH1A1 (0.33) THRBTDP1ARPGRALDH1A1
SCHEMBL27306011 0.83 AR (0.33) THRBTDP1ARPGRALDH1A1
SCHEMBL27306128 0.82 AR (0.33) THRBTDP1ARPGRALDH1A1
SCHEMBL27306720 0.78 ALDH1A1 (0.32) THRBTDP1ALDH1A1TP53HSP90AA1
SCHEMBL27307273 0.77 ALDH1A1 (0.33) THRBTDP1ALDH1A1TP53HSP90AA1
SCHEMBL27305910 0.73 PGR (0.38) ARPGRALDH1A1HTT
SCHEMBL11419807 0.70 MAPT (0.65) THRBTDP1KDM4EMEN1MAPT
SCHEMBL27306001 0.70 AR (0.34) ARPGRALDH1A1HTT
SCHEMBL27305995 0.70 AR (0.35) MAPTARPGRALDH1A1HTT

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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