SCHEMBL8446989

SCHEMBL8446989

COc1cc(OC)nc(Oc2cccc(N)c2-c2ncco2)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8446952 0.88 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8447887 0.86 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL8454604 0.85 LTA4H (0.45) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8453976 0.81 TXNRD1 (0.38) L3MBTL1ALDH1A1
SCHEMBL8452368 0.80 NPSR1 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL7958859 0.80 NPSR1 (0.44) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8451425 0.79 CTSA (0.35) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL8454613 0.78 NPSR1 (0.43) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7964700 0.77 LTA4H (0.44) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7950387 0.76 IMPDH2 (0.42) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19

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
US-5962685-A HERBICIDES NIPPON SODA CO., LTD. (JP) 1999-10-05 US disclosed