SCHEMBL8322100

SCHEMBL8322100

COc1cc(OC)nc(Oc2ccc(N(C)C)nc2C(=O)n2ccnc2)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7843972 0.80 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL7843340 0.79 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL9145299 0.79 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL7844302 0.79 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
Potassium Ion SCHEMBL7834907 0.78 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL7844292 0.78 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL7846547 0.75 NPSR1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL8326971 0.75 NPSR1 (0.41) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL8322103 0.73 ALDH1A1 (0.38) ALDH1A1NPSR1
SCHEMBL8069598 0.71 CYP1A2 (0.39) SMN1; SMN2ALDH1A1CYP1A2

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