SCHEMBL6928669

SCHEMBL6928669

O=[N+]([O-])c1ccc2c(c1)-c1ccccc1C2O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
HIF1A Q16665 1/20 0.62
MAPT P10636 3/20 0.54
HSP90AA1 P07900 1/20 0.54
CDK5 Q00535 1/20 0.54
CDK5R1 Q15078 1/20 0.54
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
PTPRC P08575 3/20 0.51
S100A4 P26447 3/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
CES1 P23141 1/20 0.51
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
GPR3 P46089 1/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL7465165 0.81 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19HIF1A
SCHEMBL27429802 0.81 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19HIF1A
SCHEMBL15617716 0.80 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19HIF1A
SCHEMBL11102634 0.77 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19HIF1A
SCHEMBL13567520 0.77 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19HIF1A
SCHEMBL27662450 0.74 HSP90AA1 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19HIF1A
SCHEMBL12237114 0.74 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19HIF1A
SCHEMBL435495 0.74 PTPRC (0.85) CYP1A2CYP3A4CYP2D6CYP2C19HIF1A
SCHEMBL18385982 0.73 HTR2B (0.50) CYP3A4CYP2D6CYP2C19MAPTGPR3
SCHEMBL6703447 0.73 GPR3 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19HIF1A

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-0911153-B1 Image forming method KONISHIROKU PHOTO IND (JP) 2003-12-10 EP disclosed
US-6174646-B1 IMAGEWISE HEATING OR EXPOSING IMAGE FORMING MATERIAL TO LASER WHEREIN IMAGE FORMING MATERIAL COMPRISES SUPPORT HAVING RADIATION SENSITIVE LAYER CONTAINING DYE, AN ACID GENERATING COMPOUND CAPABLE OF GENERATING ACID ON IRRADIATION KONICA CORPORATION (JP) 2001-01-16 US disclosed
EP-0911153-A1 Image forming method KONICA CORPORATION (JP) 1999-04-28 EP disclosed