SCHEMBL8319875

SCHEMBL8319875

C/C=C/CNc1ccc(Oc2nc(OC)cc(OC)n2)c(C(=O)OC)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL8319881 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8324588 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8319799 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8323751 0.78 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8325795 0.77 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8323096 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8322529 0.75 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8323743 0.74 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL7843340 0.73 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL8320371 0.72 GRM4 (0.52) 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