SCHEMBL16601720

SCHEMBL16601720

N#Cc1ccc2c(c1)C(=O)C=C(c1ccc(O)cc1)C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.59
PTPN1 P18031 1/20 0.48
MMP3 P08254 1/20 0.46
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ESR1 P03372 6/20 0.40
ESR2 Q92731 6/20 0.40
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
MIF P14174 1/20 0.37
AURKA O14965 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL16601728 0.82 BACE1 (0.70) BACE1PTPN1MGAMGAASI
SCHEMBL16602000 0.79 MMP3 (0.60) BACE1PTPN1MMP3MGAMGAA
SCHEMBL25381889 0.79 CASP3 (0.41) CA12CA2CA3CA6CA9
SCHEMBL16601794 0.75 BACE1 (0.70) BACE1PTPN1MGAMGAASI
SCHEMBL31423340 0.75 BACE1 (1.00) BACE1PTPN1MGAMGAASI
SCHEMBL312389 0.75 BACE1 (1.00) BACE1PTPN1MGAMGAASI
SCHEMBL16601727 0.74 BACE1 (0.59) BACE1PTPN1MGAMGAASI
SCHEMBL16601785 0.73 BACE1 (0.57) BACE1PTPN1MGAMGAASI
SCHEMBL9713475 0.72 CASP3 (0.41) CA2MAOAMAOBMIFAURKA
SCHEMBL7273583 0.72 ESR2 (0.61) MMP3GAACA12CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed