SCHEMBL11523161

SCHEMBL11523161

O=c1c2ccccc2c(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12.[Cu]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.51
GAA P10253 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GLA P06280 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44

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
SCHEMBL75410 0.98 NQO1 (0.53) NQO1GAAKDM4EALDH1A1GLA
SCHEMBL29709174 0.98 NQO1 (0.53) NQO1GAAKDM4EALDH1A1GLA
SCHEMBL11444242 0.98 NQO1 (0.53) NQO1GAAKDM4EALDH1A1GLA
SCHEMBL29352979 0.98 NQO1 (0.53) NQO1GAAKDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL28383216 0.96 NQO1 (0.51) NQO1GAAKDM4EALDH1A1GLA
SCHEMBL1881371 0.96 NQO1 (0.51) NQO1GAAKDM4EALDH1A1GLA
SCHEMBL28153683 0.96 NQO1 (0.51) NQO1GAAKDM4EALDH1A1GLA
SCHEMBL11150561 0.92 NQO1 (0.53) NQO1GAAKDM4EALDH1A1GLA
SCHEMBL7089511 0.86 NQO1 (0.44) NQO1GAAKDM4EALDH1A1GLA
SCHEMBL3388965 0.86 NQO1 (0.55) NQO1GAAKDM4EALDH1A1GLA

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-4149981-A DISPERSION OF METAL SOAP AND OIL COMPONENTS IS VORTICAL BED OF FERROMAGNETIC PARTICLES FORMED UNDER ROTATING MAGNETIC FIELD KAFAROV VIKTOR V 1979-04-17 US disclosed