SCHEMBL8323751

SCHEMBL8323751

COC(=O)c1nc(NCCOc2ccccc2)ccc1Oc1nc(OC)cc(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
CTSA P10619 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ATM Q13315 1/20 0.42
BRAF P15056 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
SCHEMBL8324588 0.79 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8319881 0.78 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8323096 0.78 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8319875 0.78 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8319799 0.77 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8320371 0.76 GRM4 (0.52) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7844751 0.76 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8327298 0.76 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8325795 0.75 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8323743 0.73 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19

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