SCHEMBL7843340

SCHEMBL7843340

COC(=O)c1nc(N(C)C)ccc1Oc1nc(OC)cc(OC)n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
ATM Q13315 1/20 0.42
GAA P10253 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
SCHEMBL8330355 0.89 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL7844292 0.89 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
Potassium Ion SCHEMBL7834907 0.89 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL7843972 0.88 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8326971 0.88 NPSR1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL7846547 0.88 NPSR1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL7844302 0.87 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL9145299 0.87 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8324177 0.87 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8320898 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5301872-A None JP disclosed
EP-0507962-B1 PICOLINIC ACID DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2001-06-13 EP disclosed
EP-0567133-B1 Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-11-03 EP disclosed
US-5403816-A Picolinic acid derivative and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-04 US disclosed
US-5391537-A Picolinic acid derivative, and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-02-21 US disclosed
JP-H05301872-A PICOLINIC ACID DERIVATIVEE AND HERBICIDE KUMIAI CHEM IND CO LTD 1993-11-16 JP disclosed
EP-0567133-A1 Picolinic acid derivative and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-10-27 EP disclosed
EP-0507962-A1 PICOLINIC ACID DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-10-14 EP disclosed