SCHEMBL7719640

SCHEMBL7719640

Cn1cccc1C1=CC(=O)c2ncccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 7/20 0.50
TDP2 O95551 2/20 0.45
NSD2 O96028 2/20 0.45
PAX8 Q06710 2/20 0.45
ABL1 P00519 1/20 0.45
PLCG1 P19174 1/20 0.45
CES1 P23141 1/20 0.45
RIN1 Q13671 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GUCY1B2 O75343 1/20 0.44
MAPT P10636 1/20 0.44
GUCY1A2 P33402 1/20 0.44
GUCY1A1 Q02108 1/20 0.44
GUCY1B1 Q02153 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NQO1 P15559 1/20 0.42

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
SCHEMBL7721594 0.89 PADI1 (0.50) S100A4TDP2NSD2PAX8ABL1
SCHEMBL7720507 0.84 ALDH1A1 (0.37) S100A4TDP2NSD2PAX8ABL1
SCHEMBL7719604 0.80 S100A4 (0.48) S100A4TDP2NSD2PAX8ABL1
SCHEMBL7721586 0.80 ALDH1A1 (0.47) S100A4TDP2NSD2PAX8ABL1
SCHEMBL7599738 0.79 BACE1 (0.51) S100A4GAAMEN1KMT2AALDH1A1
SCHEMBL7716520 0.78 S100A4 (0.42) S100A4TDP2NSD2PAX8ABL1
SCHEMBL7719602 0.77 ALDH1A1 (0.44) S100A4TDP2NSD2PAX8ABL1
SCHEMBL7720395 0.77 MTNR1A (0.47) S100A4TDP2NSD2MEN1KMT2A
SCHEMBL7720407 0.74 S100A4 (0.56) S100A4TDP2NSD2PAX8ABL1
SCHEMBL7716530 0.74 PTPRC (0.62) S100A4MEN1KMT2ATDP1ALDH1A1

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 6 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
US-6391064-B1 DYEING HAIR WITH AMINE QUINOLONE DERIVATIVES L'OREAL S.A. (FR) 2002-05-21 US disclosed
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 disclosed
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 disclosed