SCHEMBL8322358

SCHEMBL8322358

COC(=O)c1nc(N(C)Cc2ccccc2)ccc1Oc1nc(OC)cc(OC)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CTSA P10619 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL8324177 0.85 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL7843340 0.83 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL9559486 0.80 MEN1 (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDCRHBP
SCHEMBL8330355 0.80 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL7844751 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL8327298 0.76 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL8320898 0.75 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL7843972 0.75 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL7846547 0.75 NPSR1 (0.41) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL7844302 0.74 ALDH1A1 (0.41) 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-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