SCHEMBL9567412

SCHEMBL9567412

COc1nc(OC)nc(Oc2cccc(Cl)c2C(=O)ON(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL9046476 0.89 NPSR1 (0.58) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9567436 0.85 NPSR1 (0.38) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL9567449 0.85 NPC1 (0.43) CYP1A2
SCHEMBL9682580 0.82 CA12 (0.49) NPSR1
SCHEMBL9567415 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL9275700 0.79 NCEH1 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL9682835 0.78 KMT2A (0.43) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL9032593 0.78 MAPT (0.40) ALDH1A1SMN1; SMN2ATM
SCHEMBL9215199 0.77 NPSR1 (0.53) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9046773 0.76 NPSR1 (0.55) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0549344-A1 Triazine derivatives as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 EP disclosed