SCHEMBL8330355

SCHEMBL8330355

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL7843340 0.89 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8324177 0.84 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8320898 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8322358 0.80 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8322529 0.79 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL7844292 0.78 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
Potassium Ion SCHEMBL7834907 0.78 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8319799 0.78 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL7846547 0.78 NPSR1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8326971 0.78 NPSR1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0567133-A1 Picolinic acid derivative and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-10-27 EP disclosed