SCHEMBL7721582

SCHEMBL7721582

CCN(CC)c1ccc(C2=CC(=O)c3ncccc3C2=O)c(NC(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 4/20 0.45
MAPT P10636 6/20 0.39
GFER P55789 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GUCY1B2 O75343 1/20 0.36
GUCY1A2 P33402 1/20 0.36
GUCY1A1 Q02108 1/20 0.36
GUCY1B1 Q02153 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NQO1 P15559 1/20 0.36
LMNA P02545 2/20 0.36
STAT3 P40763 2/20 0.36
HTT P42858 1/20 0.36
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36

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
SCHEMBL7721589 0.82 S100A4 (0.39) S100A4MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7721572 0.81 S100A4 (0.44) S100A4MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7721606 0.77 S100A4 (0.47) S100A4MAPTNPSR1SMN1; SMN2KMT2A
SCHEMBL7721584 0.70 S100A4 (0.41) S100A4MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7720647 0.69 S100A4 (0.40) S100A4MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11074074 0.67 KMT2A (0.53) MAPTGFERNPSR1CYP2C19SMN1; SMN2
SCHEMBL11074071 0.67 KMT2A (0.53) MAPTGFERNPSR1CYP2C19SMN1; SMN2
SCHEMBL13741135 0.66 MAPT (0.48) MAPTGFERNPSR1CYP2C19SMN1; SMN2
SCHEMBL7721587 0.66 S100A4 (0.50) S100A4MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6075087 0.65 S100B (0.51) MAPTGFERCYP2C19SMN1; SMN2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391064-B1 DYEING HAIR WITH AMINE QUINOLONE DERIVATIVES L'OREAL S.A. (FR) 2002-05-21 US claimed
EP-0984010-B1 Use in hair dyes of quinolin-5,8-diones or quinoxalin-5,8-diones condensed with substituted pyrroles, anilines or indoles OREAL (FR) 2001-06-20 EP claimed
EP-0984010-A1 Use in hair dyes of quinolin-5,8-diones or quinoxalin-5,8-diones condensed with substituted pyrroles, anilines or indoles L'OREAL (FR) 2000-03-08 EP claimed