SCHEMBL9691950

SCHEMBL9691950

COc1cc(OC)nc(Oc2cccnc2C(=O)OCSC)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.50
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL7846224 0.87 CTSA (0.55) CTSANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL10482041 0.85 CTSA (0.51) CTSANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL731243 0.84 ALDH1A1 (0.56) CTSANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL9694300 0.84 CTSA (0.52) CTSANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL732099 0.83 CTSA (0.54) CTSANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL9694187 0.83 CTSA (0.52) CTSANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL9046952 0.82 CTSA (0.50) CTSANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL9693378 0.81 CTSA (0.52) CTSANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL9693873 0.81 NPSR1 (0.53) CTSANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL7814676 0.80 CTSA (0.57) CTSANPSR1CYP1A2CYP2C9CYP2C19

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 7 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
EP-0249707-B1 PICOLINIC ACID DERIVATIVES AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-03-11 EP disclosed
US-4931087-A Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-06-05 US disclosed
US-4832729-A Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-05-23 US disclosed
EP-0249707-A1 Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-12-23 EP disclosed