SCHEMBL9714380

SCHEMBL9714380

CC(C)(C)N(NOS(N)(=O)=O)C(=O)c1ccccc1I

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 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
SCHEMBL9825527 0.77 POLB (0.48)
SCHEMBL9558172 0.74 CA1 (0.35) CA1CA2CA5ACA9
SCHEMBL9825531 0.72 POLB (0.48) CYP3A4CYP2C9HTT
SCHEMBL8773675 0.71 POLB (0.70) CYP3A4CYP2C9
SCHEMBL9557696 0.71 CA1 (0.33) CA1CA2CA5ACA9
SCHEMBL10768616 0.70 MEN1 (0.40)
SCHEMBL31135393 0.69 MEN1 (0.41)
SCHEMBL9815861 0.67 ABCB1 (0.47)
SCHEMBL9825310 0.66 HPGD (0.70) CYP3A4
SCHEMBL9824930 0.66 POLB (0.70) CYP3A4CYP2C9

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-0245950-B1 INSECTICIDAL N-SUBSTITUTED-N' - SUBSTITUTED-N, N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1992-06-17 EP disclosed