SCHEMBL9693873

SCHEMBL9693873

COc1cc(OC)nc(Oc2cccnc2C(=O)OCc2ccc(Cl)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ATM Q13315 1/20 0.53
CTSA P10619 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 1/20 0.41

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
SCHEMBL732099 0.90 CTSA (0.54) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL9692112 0.90 CTSA (0.49) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL9693462 0.84 CTSA (0.57) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL7846224 0.83 CTSA (0.55) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL9694300 0.83 CTSA (0.52) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL10482041 0.81 CTSA (0.51) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL9694374 0.81 L3MBTL1 (0.44) CTSAL3MBTL1SMN1; SMN2
SCHEMBL731243 0.81 ALDH1A1 (0.56) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL9691950 0.81 CTSA (0.50) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL9693378 0.80 CTSA (0.52) 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
EP-0249707-B1 PICOLINIC ACID DERIVATIVES AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-03-11 EP claimed
US-4832729-A Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-05-23 US claimed
EP-0249707-A1 Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-12-23 EP claimed