SCHEMBL22200839

SCHEMBL22200839

Cn1c2ccccc2c2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.51
PTGER4 P35408 1/20 0.45
NOX1 Q9Y5S8 1/20 0.42
GPR3 P46089 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL18624158 0.87 NPY5R (0.68) NPY5RPTGER4NOX1KDM4EMAPT
SCHEMBL18624156 0.84 NPY5R (0.53) NPY5RPTGER4
SCHEMBL14579767 0.80 MAP4K4 (0.47) NOX1KDM4EMAPTMEN1ALDH1A1
SCHEMBL28296998 0.79 NOX1 (0.45) NOX1KDM4EMAPTMEN1ALDH1A1
SCHEMBL30320785 0.79 NOX1 (0.44) NOX1KDM4EMAPTMEN1ALDH1A1
SCHEMBL10067289 0.78 KDM4E (0.37) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL10067260 0.78 MAPK14 (0.40) MAPTALDH1A1HPGDHTTHSD17B10
SCHEMBL2062423 0.77 TNKS (0.49) NOX1KDM4EMAPTL3MBTL1
SCHEMBL28647943 0.76 MAP4K4 (0.50) NOX1KDM4EMAPTMEN1ALDH1A1
SCHEMBL29922981 0.76 MAP4K4 (0.50) NOX1KDM4EMAPTMEN1ALDH1A1

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
EP-3677612-A1 HIGH PERFORMANCE PHOTOINITIATING SYSTEMS FOR POLYMER/OPAQUE FILLER COMPOSITES Université de Haute Alsace (FR) 2020-07-08 EP disclosed