SCHEMBL9767805

SCHEMBL9767805

C#CCO/N=C\c1ccccc1Oc1nc(OC)cc(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9767810 1.00 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL9767524 0.83 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL9767528 0.83 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL9781799 0.80 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9781812 0.80 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9384516 0.78 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL9384512 0.78 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL30615664 0.78 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL9732823 0.78 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL9767530 0.77 MAPT (0.51) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9

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 2 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 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