SCHEMBL8088592

SCHEMBL8088592

COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.81
MAPT P10636 8/20 0.73
TP53 P04637 4/20 0.73
THRB P10828 1/20 0.73
SMPD3 Q9NY59 5/20 0.72
MPO P05164 1/20 0.66
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
LMNA P02545 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
HPGD P15428 2/20 0.62
GAA P10253 2/20 0.62

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
SCHEMBL18292680 0.88 NOX1 (0.78) NOX1MAPTTP53THRBSMPD3
SCHEMBL20445310 0.87 SMPD3 (0.72) NOX1MAPTTP53THRBSMPD3
Hydrochloric Acid SCHEMBL23736189 0.86 SMPD3 (0.70) NOX1MAPTTP53THRBSMPD3
SCHEMBL12561718 0.84 NOX1 (0.59) NOX1MAPTTP53THRBSMPD3
SCHEMBL6469484 0.84 NOX1 (0.88) NOX1MAPTTP53THRBSMPD3
SCHEMBL12958682 0.84 SMPD3 (1.00) NOX1MAPTTP53THRBSMPD3
SCHEMBL19868949 0.83 MAPK13 (0.67) NOX1MAPTLMNATDP1CYP1A2
SCHEMBL18292682 0.83 PTPN1 (0.70) NOX1MAPTTP53THRBSMPD3
SCHEMBL6465030 0.82 MAPK13 (0.71) NOX1MAPTTP53THRBSMPD3
SCHEMBL18292681 0.82 SMPD3 (0.85) NOX1MAPTTP53THRBSMPD3

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
JP-2000273088-A TRIPHENYLIMIDAZOLE NIPPON SODA CO LTD 2000-10-03 JP disclosed