SCHEMBL9384516

SCHEMBL9384516

COc1cc(OC)nc(Oc2ccccc2C=NO)n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.61
▸ HPGD P15428 3/20 0.58
▸ LMNA P02545 3/20 0.58
▸ HTT P42858 2/20 0.58
▸ MAPT P10636 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ATM Q13315 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
SCHEMBL30615664 1.00 ALDH1A1 (0.61) ALDH1A1HPGDLMNAHTTMAPT
SCHEMBL9384512 1.00 ALDH1A1 (0.61) ALDH1A1HPGDLMNAHTTMAPT
SCHEMBL9732818 0.86 USP2 (0.49) ALDH1A1HPGDLMNAHTTMAPT
SCHEMBL9732827 0.86 USP2 (0.49) ALDH1A1HPGDLMNAHTTMAPT
SCHEMBL9767524 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL9767528 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL9733174 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL9732608 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL9733108 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL9732612 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPSR1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4986846-A PRE-AND POSTEMERGENCE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-01-22 — — US claimed
EP-0374839-A1 2-(4,6-Dimethoxy-2-pyrimidinyloxy)benzaldoximes, preparation processes thereof, herbicides containing the same, and herbicidal compositions containing the same along with other active ingredients MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-27 — — EP claimed
CN-111269223-B Isoxazole oxime ester derivative and application thereof 西安近代化学研究所 2023-08-11 — — CN disclosed
CN-111269223-A Isoxazole oxime ester derivative and application thereof 西安近代化学研究所 2020-06-12 — — CN disclosed
EP-0472925-B1 Substituted pyridins BAYER AG (DE) 1994-08-31 — — EP disclosed
WO-1992013846-A1 PYRIMIDINYL- AND TRIAZINYLSALICYL- AND -PICOLINYLALDEHYDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-08-20 — — WO disclosed
US-5053070-A PYRIMIDINE DERIVATIVES, PREPARATION PROCESSES THEREOF, HERBICIDE CONTAINING THE SAME, AND HERBICIDAL COMPOSITIONS CONTAINING THE SAME ALONG WITH OTHER ACTIVE INGREDIENT MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-10-01 — — US disclosed
US-4986846-A PRE-AND POSTEMERGENCE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-01-22 — — US disclosed
US-4986846-A PRE-AND POSTEMERGENCE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-01-22 — — US disclosed
EP-0374839-A1 2-(4,6-Dimethoxy-2-pyrimidinyloxy)benzaldoximes, preparation processes thereof, herbicides containing the same, and herbicidal compositions containing the same along with other active ingredients MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-27 — — EP disclosed
EP-0374839-A1 2-(4,6-Dimethoxy-2-pyrimidinyloxy)benzaldoximes, preparation processes thereof, herbicides containing the same, and herbicidal compositions containing the same along with other active ingredients MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-27 — — EP disclosed
Send feedback