SCHEMBL9410481

SCHEMBL9410481

O=C(Cl)COc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 3/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
CYP3A4 P08684 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
HIF1A Q16665 1/20 0.55
GMNN O75496 1/20 0.55
APEX1 P27695 1/20 0.55
PMP22 Q01453 1/20 0.55
HTT P42858 8/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
GLA P06280 1/20 0.46

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
SCHEMBL18579883 0.90 ALDH1A1 (0.55) ALDH1A1CYP1A2LMNAMAPTCYP3A4
SCHEMBL18580142 0.89 CYP1A2 (0.54) ALDH1A1CYP1A2LMNAMAPTCYP3A4
SCHEMBL18580214 0.87 CYP1A2 (0.52) ALDH1A1CYP1A2LMNAMAPTCYP3A4
SCHEMBL18580631 0.87 CYP1A2 (0.54) ALDH1A1CYP1A2LMNAMAPTCYP3A4
SCHEMBL18580315 0.86 ALDH1A1 (0.53) ALDH1A1CYP1A2LMNAMAPTCYP3A4
SCHEMBL18580709 0.86 ALDH1A1 (0.53) ALDH1A1CYP1A2LMNAMAPTCYP3A4
SCHEMBL18580514 0.86 MAPT (0.53) ALDH1A1CYP1A2LMNAMAPTCYP3A4
SCHEMBL27259682 0.85 ALDH1A1 (0.60) ALDH1A1CYP1A2LMNAMAPTCYP3A4
SCHEMBL18580238 0.84 SMN1; SMN2 (0.52) ALDH1A1CYP1A2LMNAMAPTCYP3A4
SCHEMBL18580438 0.84 MAPT (0.52) ALDH1A1CYP1A2LMNAMAPTCYP3A4

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-0580932-A1 Herbicidal quinoxalinyloxy ethers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-02-02 EP disclosed
WO-1993003020-A1 HERBICIDAL QUINOXALINYLOXY ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-18 WO disclosed
EP-0527016-A1 Herbicidal quinoxalinyloxy ethers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-10 EP disclosed