SCHEMBL9767532

SCHEMBL9767532

COc1cc(OC)nc(Oc2ccccc2C=NOCc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
PIK3CG P48736 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL9767530 1.00 MAPT (0.51) MAPTPIK3CGSMN1; SMN2KDM4EKMT2A
SCHEMBL9767528 0.77 ALDH1A1 (0.48) SMN1; SMN2L3MBTL1ALDH1A1GAANPSR1
SCHEMBL9767524 0.77 ALDH1A1 (0.48) SMN1; SMN2L3MBTL1ALDH1A1GAANPSR1
SCHEMBL9767855 0.77 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL9767863 0.77 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL9767805 0.77 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL9767810 0.77 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL12417127 0.76 CYP1A2 (0.51) MAPTSMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL9781812 0.74 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL9781799 0.74 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1ALDH1A1POLB

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