SCHEMBL8438191

SCHEMBL8438191

CCOc1cc(N)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 3/20 0.45
MEN1 O00255 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
CYP2D6 P10635 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6673597 0.92 MAPT (0.55) ALDH1A1MAPTLMNATDP1MEN1
SCHEMBL11013467 0.88 MAPT (0.55) ALDH1A1MAPTLMNAHTTTDP1
SCHEMBL16543579 0.88 MAPT (0.55) ALDH1A1MAPTLMNAHTTTDP1
SCHEMBL8356136 0.87 MAPT (0.61) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL11553810 0.87 MAPT (0.57) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL8564000 0.87 ALDH1A1 (0.53) ALDH1A1MAPTLMNAHTTTDP1
SCHEMBL6815710 0.87 HTT (0.58) ALDH1A1MAPTLMNAHTTTDP1
SCHEMBL4799531 0.87 HTT (0.58) ALDH1A1MAPTLMNAHTTTDP1
SCHEMBL11484097 0.83 MAPT (0.61) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL11548343 0.83 TDP1 (0.49) ALDH1A1MAPTLMNAHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648814-B1 Dye containing polarizing film SUMITOMO CHEMICAL CO (JP) 1999-12-29 EP disclosed
US-5609796-A MIXTURE OF DISAZO AND TRISAZO DYES, METALLIZED DYES, IN POLYVINYL ALCOHOL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-03-11 US disclosed
EP-0648814-A1 Dye containing polarizing film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-19 EP disclosed