SCHEMBL9410413

SCHEMBL9410413

CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)N(C)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.62
▸ CYP1A2 P05177 3/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ HPGD P15428 2/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ TP53 P04637 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ GMNN O75496 1/20 0.62
▸ APEX1 P27695 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ LIPE Q05469 4/20 0.48
▸ HTT P42858 6/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ CYP2C19 P33261 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL9410377 1.00 ALDH1A1 (0.62) ALDH1A1CYP1A2SMN1; SMN2HPGDNPSR1
SCHEMBL10556791 0.87 ALDH1A1 (0.58) ALDH1A1CYP1A2SMN1; SMN2HPGDNPSR1
SCHEMBL10558474 0.86 ALDH1A1 (0.57) ALDH1A1CYP1A2SMN1; SMN2HPGDNPSR1
SCHEMBL10556784 0.85 ALDH1A1 (0.55) ALDH1A1CYP1A2SMN1; SMN2HPGDNPSR1
SCHEMBL10558468 0.85 ALDH1A1 (0.62) ALDH1A1CYP1A2SMN1; SMN2HPGDNPSR1
Quizalofop SCHEMBL111413 0.85 ALDH1A1 (0.72) ALDH1A1CYP1A2SMN1; SMN2HPGDNPSR1
Quizalofop SCHEMBL19210826 0.85 ALDH1A1 (0.72) ALDH1A1CYP1A2SMN1; SMN2HPGDNPSR1
Quizalofop SCHEMBL63325 0.85 ALDH1A1 (0.72) ALDH1A1CYP1A2SMN1; SMN2HPGDNPSR1
Quizalofop SCHEMBL1010164 0.85 ALDH1A1 (0.72) ALDH1A1CYP1A2SMN1; SMN2HPGDNPSR1
Quizalofop SCHEMBL29763487 0.85 ALDH1A1 (0.72) ALDH1A1CYP1A2SMN1; SMN2HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527016-A1 Herbicidal quinoxalinyloxy ethers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-10 — — EP claimed
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
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