SCHEMBL8320898

SCHEMBL8320898

COC(=O)c1nc(N(C)C2CCCCC2)ccc1Oc1nc(OC)cc(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.38
LCK P06239 3/20 0.37
JAK3 P52333 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8322836 0.91 LCK (0.40) ALDH1A1NPSR1LCKJAK3CYP1A2
SCHEMBL7843340 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL8330355 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL8324177 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL8322358 0.75 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL8322529 0.74 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL7844292 0.73 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
Potassium Ion SCHEMBL7834907 0.73 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL8323078 0.73 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL8326971 0.73 NPSR1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4

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