SCHEMBL7844751

SCHEMBL7844751

COC(=O)c1nc(-c2ccccc2)ccc1Oc1nc(OC)cc(OC)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 2/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL8322529 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL8324588 0.79 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL8323096 0.78 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL7843340 0.78 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL731243 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL8322358 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL9475471 0.77 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL8319799 0.77 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL8323751 0.76 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL2976362 0.75 ALDH1A1 (0.85) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9

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-0507962-B1 PICOLINIC ACID DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2001-06-13 EP disclosed
US-5391537-A Picolinic acid derivative, and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-02-21 US disclosed
EP-0507962-A1 PICOLINIC ACID DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-10-14 EP disclosed