SCHEMBL8535601

SCHEMBL8535601

O=c1cc(O)[nH]c2ccc(Cl)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
CYP1A2 P05177 1/20 0.64
GAA P10253 1/20 0.64
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
ALDH1A1 P00352 3/20 0.57
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 3/20 0.51
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51
GRIN3A Q8TCU5 2/20 0.51
THRB P10828 1/20 0.51
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL9007825 0.82 DAO (0.65) HPGDCYP1A2GAAMEN1KMT2A
SCHEMBL2344421 0.78 HPGD (1.00) HPGDCYP1A2GAAMEN1KMT2A
SCHEMBL21979963 0.78 HPGD (0.64) HPGDCYP1A2ALDH1A1LMNAKDM4E
SCHEMBL1504031 0.77 MEN1 (0.77) HPGDCYP1A2GAAMEN1KMT2A
SCHEMBL29175956 0.77 LMNA (0.65) HPGDCYP1A2GAAMEN1KMT2A
SCHEMBL6667751 0.75 GAA (0.60) HPGDCYP1A2GAAMEN1KMT2A
SCHEMBL3223994 0.74 LMNA (0.66) HPGDCYP1A2GAAMEN1KMT2A
SCHEMBL31490922 0.74 LMNA (0.60) HPGDCYP1A2GAAMEN1KMT2A
SCHEMBL20382322 0.74 GAA (0.63) HPGDCYP1A2GAAMEN1KMT2A
SCHEMBL13961361 0.73 SIRT1 (0.67) HPGDCYP1A2GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4814444-A SULFIDED PLATINUM, SULFIDED PALLADIUM, OR SULFIDED RHODIUM REDUCING CATALYSTS UNIROYAL CHEMICAL COMPANY, INC. (US) 1989-03-21 US claimed
EP-0295797-A2 Process for the selective reduction of 2-quinoxaline-4-oxides UNIROYAL CHEMICAL COMPANY, Inc. (US) 1988-12-21 EP claimed
EP-0295815-A2 Process for production of 2-quinoxalines UNIROYAL CHEMICAL COMPANY, Inc. (US) 1988-12-21 EP claimed
EP-0295797-B1 Process for the selective reduction of 2-quinoxalinol-4-oxides to 2-quinoxalinols UNIROYAL CHEM CO INC (US) 1998-01-07 EP disclosed
CN-1017994-B Process for producing 2-quinoxalinol UNIROYAL CHEM CO INC (US) 1992-08-26 CN disclosed
US-4814444-A SULFIDED PLATINUM, SULFIDED PALLADIUM, OR SULFIDED RHODIUM REDUCING CATALYSTS UNIROYAL CHEMICAL COMPANY, INC. (US) 1989-03-21 US disclosed
EP-0295797-A2 Process for the selective reduction of 2-quinoxaline-4-oxides UNIROYAL CHEMICAL COMPANY, Inc. (US) 1988-12-21 EP disclosed
EP-0295815-A2 Process for production of 2-quinoxalines UNIROYAL CHEMICAL COMPANY, Inc. (US) 1988-12-21 EP disclosed