SCHEMBL7877115

SCHEMBL7877115

COc1cc(OC)nc(Oc2ccccc2C=O)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.55
CYP2C9 P11712 4/20 0.55
CYP2C19 P33261 4/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 3/20 0.53
CYP3A4 P08684 2/20 0.52
ATM Q13315 1/20 0.51
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 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
SCHEMBL9477684 0.92 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL9237442 0.91 ALDH1A1 (0.61) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL9236482 0.89 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL9475263 0.87 NPSR1 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL9237472 0.87 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL9683096 0.85 ALDH1A1 (0.60) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL11616668 0.83 LMNA (0.62) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL31657764 0.83 LMNA (0.62) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL9597927 0.83 L3MBTL1 (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1NPSR1
SCHEMBL7835212 0.81 ALDH1A1 (0.53) CYP1A2CYP2C9CYP2C19ALDH1A1NPSR1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992013846-A1 PYRIMIDINYL- AND TRIAZINYLSALICYL- AND -PICOLINYLALDEHYDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-08-20 WO claimed
JP-2262565-A None JP disclosed
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
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
US-6268310-B1 CONTROLLING WEEDS NIPPON SODA CO., LTD. (JP) 2001-07-31 US disclosed
US-6107251-A SUCH AS 5-(2-(4,6-DIMETHOXYPYRIMIDINE-2-YLOXY)-6-(4,6-DIMETHOXYTRIAZINE-2 -YLOXY)PHENYL)OXAZOLE AND OTHER COMPOUNDS OF SPECIFIED FORMULA NIPPON SODA CO., LTD. (JP) 2000-08-22 US disclosed
US-5962685-A HERBICIDES NIPPON SODA CO., LTD. (JP) 1999-10-05 US disclosed
WO-1998001430-A1 NITROALKYL-SUBSTITUTED PYRIMIDINYL OR TRIAZINYL (OXY, THIO, METHYL) PHENYL OR PYRIDINYL DERIVATIVES, THEIR PRODUCTION AND USE AS HERBICIDES OR PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-01-15 WO disclosed
EP-0776894-A1 OXAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE NIPPON SODA CO., LTD. (JP) 1997-06-04 EP disclosed
WO-1991019700-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-26 WO disclosed
EP-0459243-A2 Substituted Azines BAYER AG (DE) 1991-12-04 EP 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-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
WO-1991013065-A1 6-ARYL-2-SUBSTITUTED BENZOIC ACID HERBICIDES FMC CORPORATION (US) 1991-09-05 WO 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
JP-H02262565-A PYRIMIDINE DERIVATIVE, ITS PRODUCTION AND HERBICIDE CONTAINING SAME AND HERBICIDE COMPOSITION MITSUI TOATSU CHEM INC 1990-10-25 JP 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