SCHEMBL7962465

SCHEMBL7962465

COc1cc(OC)nc(Oc2cccc(-c3ccc(Cl)cc3)c2-c2cnco2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
ATM Q13315 1/20 0.45
LTA4H P09960 1/20 0.43
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IMPDH2 P12268 3/20 0.38
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7950180 0.82 L3MBTL1 (0.39) CYP1A2CYP2C9CYP2C19IMPDH2CYP3A4
SCHEMBL7950387 0.80 IMPDH2 (0.42) CYP1A2CYP2C9CYP2C19IMPDH2CYP3A4
SCHEMBL7950171 0.80 CYP1A2 (0.39) NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7964697 0.79 CYP1A2 (0.43) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL8452368 0.79 NPSR1 (0.45) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL7950159 0.76 AAK1 (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL7958560 0.73 IMPDH2 (0.35) NPSR1CYP1A2CYP2C9CYP2C19IMPDH2
SCHEMBL7950178 0.70 IMPDH2 (0.32) CYP1A2CYP2C9CYP2C19IMPDH2CYP3A4
SCHEMBL7950249 0.69 AAK1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL8959295 0.69 CYP1A2 (0.55) NPSR1CYP1A2CYP2C9CYP2C19ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0776894-A1 OXAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE NIPPON SODA CO., LTD. (JP) 1997-06-04 EP disclosed