SCHEMBL9767528

SCHEMBL9767528

CON=Cc1ccccc1Oc1nc(OC)cc(OC)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL9767524 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPSR1L3MBTL1CYP1A2
SCHEMBL9384512 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPSR1L3MBTL1CYP1A2
SCHEMBL9384516 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPSR1L3MBTL1CYP1A2
SCHEMBL30615664 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPSR1L3MBTL1CYP1A2
SCHEMBL9767810 0.83 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NPSR1L3MBTL1CYP1A2
SCHEMBL9767805 0.83 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NPSR1L3MBTL1CYP1A2
SCHEMBL9732608 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPSR1L3MBTL1CYP1A2
SCHEMBL9732612 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPSR1L3MBTL1CYP1A2
SCHEMBL9733174 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPSR1L3MBTL1CYP1A2
SCHEMBL9733170 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPSR1L3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2262565-A None JP 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
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