SCHEMBL9375965

SCHEMBL9375965

COc1cc(OC)nc(Oc2cccc(OC(F)F)c2C=O)n1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9597927 0.89 L3MBTL1 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9694645 0.83 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9236482 0.81 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9293280 0.80 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9683719 0.80 NPSR1 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9380431 0.79 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9754409 0.77 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9599684 0.76 SMN1; SMN2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9730939 0.76 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9754364 0.74 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19GAA

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
EP-0287079-B1 2-Phenoxypyrimidine derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-10-12 EP disclosed
US-4889552-A 2-Phenoxypyrimidine derivative and herbidical composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-12-26 US disclosed
EP-0287079-A2 2-Phenoxypyrimidine derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-10-19 EP disclosed