SCHEMBL9682580

SCHEMBL9682580

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

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL8939116 0.87 NPSR1 (0.60) NPSR1
SCHEMBL9873475 0.86 NPSR1 (0.59) NPSR1
SCHEMBL9567412 0.82 NPSR1 (0.44) NPSR1
Isopropylamine SCHEMBL9871415 0.82 NPSR1 (0.58) NPSR1
SCHEMBL9754474 0.81 CYP2C9 (0.44) CA12CA1CA2CA7CA9
SCHEMBL9539769 0.81 LMNA (0.53) CA12CA1CA2CA7CA9
SCHEMBL9682835 0.81 KMT2A (0.43) NPSR1
SCHEMBL696000 0.81 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL9681963 0.80 SCN9A (0.45) NPSR1
SCHEMBL14098000 0.78 CA12 (0.50) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149357-A Herbicidal substituted benzoylsulfonamides FMC CORPORATION (US) 1992-09-22 US disclosed
US-5057143-A Herbicides, plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1991-10-15 US disclosed