SCHEMBL6852277

SCHEMBL6852277

Cc1ccc(Sc2ccc(N)cc2Cl)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.79
ITGB2 P05107 2/20 0.56
ICAM1 P05362 2/20 0.56
ITGAL P20701 2/20 0.56
MAPT P10636 5/20 0.47
CYP3A4 P08684 4/20 0.47
HPGD P15428 4/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 3/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7187848 0.89 PDE7A (1.00) PDE7AITGB2ICAM1ITGALMAPT
SCHEMBL1149093 0.85 PDE7A (0.85) PDE7AITGB2ICAM1ITGALMAPT
SCHEMBL5253210 0.81 PDE7A (0.79) PDE7AITGB2ICAM1ITGALMAPT
SCHEMBL3033239 0.81 PDE7A (0.72) PDE7AITGB2ICAM1ITGALMAPT
SCHEMBL7605532 0.81 ITGB2 (0.59) PDE7AITGB2ICAM1ITGALMAPT
SCHEMBL7187676 0.80 ITGB2 (0.80) PDE7AITGB2ICAM1ITGALMAPT
SCHEMBL7606216 0.80 PDE7A (0.76) PDE7AITGB2ICAM1ITGALMAPT
SCHEMBL7192598 0.79 PDE7A (0.73) PDE7AITGB2ICAM1ITGALMAPT
SCHEMBL720839 0.79 PDE7A (0.73) PDE7AITGB2ICAM1ITGALMAPT
SCHEMBL18561704 0.78 MAPT (0.51) PDE7AITGB2ICAM1ITGALMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661289-B1 Vinyl carboxamide derivatives as insecticides and acaricides SYNGENTA PARTICIPATIONS AG (CH) 2004-03-03 EP claimed
US-5763481-A PESTICIDES; INSECTICIDES, MITICIDES NOVARTIS CORPROATION (US) 1998-06-09 US disclosed