SCHEMBL5384591

SCHEMBL5384591

C1=CC2N/C1=C(/c1cccnc1)c1ccc([nH]1)/C(c1cccnc1)=C1/C=CC(N1)/C(c1cccnc1)=c1/cc/c([nH]1)=C/2c1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2A6 P11509 5/20 0.33
▸ NPY5R Q15761 4/20 0.33
▸ CYP2E1 P05181 2/20 0.33
▸ CYP2B6 P20813 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ CHRNB2 P17787 3/20 0.31
▸ CHRNB4 P30926 3/20 0.31
▸ CHRNA3 P32297 3/20 0.31
▸ CHRNA7 P36544 3/20 0.31
▸ CHRNA4 P43681 3/20 0.31
▸ CHRNB3 Q05901 2/20 0.31
▸ CHRNA6 Q15825 2/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ BTK Q06187 1/20 0.31

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
SCHEMBL120088 0.56 CYP2A6 (1.00) CYP3A4ALDH1A1CYP1A2CYP2A6CYP2E1
SCHEMBL30473120 0.56 CYP2A6 (1.00) CYP3A4ALDH1A1CYP1A2CYP2A6CYP2E1
SCHEMBL29419014 0.56 CYP2A6 (1.00) CYP3A4ALDH1A1CYP1A2CYP2A6CYP2E1
Benzene SCHEMBL27934930 0.55 CYP2A6 (0.94) CYP3A4ALDH1A1CYP1A2CYP2A6CYP2E1
SCHEMBL28275760 0.55 CYP2A6 (0.94) CYP3A4ALDH1A1CYP1A2CYP2A6CYP2E1
SCHEMBL27812368 0.55 CYP2A6 (0.94) CYP3A4ALDH1A1CYP1A2CYP2A6CYP2E1
Phosphine SCHEMBL28126457 0.55 CYP2A6 (0.94) CYP3A4ALDH1A1CYP1A2CYP2A6CYP2E1
SCHEMBL28247322 0.55 CYP2A6 (0.94) CYP3A4ALDH1A1CYP1A2CYP2A6CYP2E1
Hydrochloric Acid SCHEMBL4831090 0.55 CYP2A6 (0.94) CYP3A4ALDH1A1CYP1A2CYP2A6CYP2E1
SCHEMBL28301145 0.55 CYP2A6 (0.94) CYP3A4ALDH1A1CYP1A2CYP2A6CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255167-B1 Porphyrin compound, and electrophotographic photosensitive member, process-cartridge and apparatus using the compound CANON KK (JP) 2013-11-13 — — EP disclosed
US-7245851-B2 Electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2007-07-17 — — US disclosed
EP-1536292-A2 Electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2005-06-01 — — EP disclosed
US-20050111880-A1 Electrophotographic photosensitive member, a charging means, a semiconductor laser as an exposure means, a developing means, a transfer means and a light-emitting diode as a destaticizing means for the electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 2005-05-26 — — US disclosed
US-6833227-B2 Charge-generating material CANON KABUSHIKI KAISHA (JP) 2004-12-21 — — US disclosed
US-20040048181-A1 Electrophotographic photosensitive member, process-cartridge and apparatus CANON KABUSHIKI KAISHA (JP) 2004-03-11 — — US disclosed
US-6683175-B2 HAVING SENSITIVITY TO A SHORT SEMICONDUCTOR LASER LIGHT IN A WAVELENGTH RANGE OF 380-500 NM CANON KABUSHIKI KAISHA (JP) 2004-01-27 — — US disclosed
US-20020192581-A1 Porphyrin compound, and electrophotographic photosensitive member, process-cartridge and apparatus using the compound CANON KABUSHIKI KAISHA (JP) 2002-12-19 — — US disclosed
EP-1255167-A2 Porphyrin compound, and electrophotographic photosensitive member, process-cartridge and apparatus using the compound CANON KABUSHIKI KAISHA (JP) 2002-11-06 — — EP disclosed
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