SCHEMBL5575875

SCHEMBL5575875

COc1cc(/C=C/c2ccncc2)c(OC)cc1C#CC#Cc1cc(OC)c(/C=C/c2ccncc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 8/20 0.57
CYP1B1 Q16678 8/20 0.57
MAPT P10636 4/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.49
CYP1A2 P05177 7/20 0.46
NPC1 O15118 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
SRC P12931 4/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
PRKACA P17612 1/20 0.43

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
SCHEMBL5575881 1.00 CYP1A1 (0.57) CYP1A1CYP1B1MAPTKDM4EHSD17B10
SCHEMBL21857980 0.91 CYP1A1 (0.49) CYP1A1CYP1B1MAPTKDM4EHSD17B10
SCHEMBL4204804 0.86 CYP1A1 (0.73) CYP1A1CYP1B1MAPTKDM4EHSD17B10
SCHEMBL22170336 0.86 CYP1A1 (0.73) CYP1A1CYP1B1MAPTKDM4EHSD17B10
SCHEMBL22009094 0.83 CYP1A1 (0.69) CYP1A1CYP1B1MAPTKDM4EHSD17B10
SCHEMBL22009175 0.79 CYP1A1 (0.63) CYP1A1CYP1B1MAPTKDM4EHSD17B10
SCHEMBL22009093 0.75 CYP1A1 (0.61) CYP1A1CYP1B1MAPTKDM4EHSD17B10
SCHEMBL10423998 0.73 CYP1A1 (1.00) CYP1A1CYP1B1MAPTKDM4EHSD17B10
SCHEMBL10423997 0.73 CYP1A1 (1.00) CYP1A1CYP1B1MAPTKDM4EHSD17B10
SCHEMBL22009552 0.73 CYP1A1 (0.77) CYP1A1CYP1B1MAPTKDM4EHSD17B10

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
US-20070292803-A1 Optical recording medium and recording method thereof KABUSHIKI KAISHA TOSHIBA (JP) 2007-12-20 US disclosed