SCHEMBL9557696

SCHEMBL9557696

CCN(C(=O)c1ccccc1I)N(OS(N)(=O)=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA5A P35218 1/20 0.33
TP53 P04637 1/20 0.31
KEAP1 Q14145 1/20 0.30

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
SCHEMBL9558172 0.84 CA1 (0.35) CA1CA2CA9CA5A
SCHEMBL9714380 0.71 CA1 (0.38) CA1CA2CA9CA5A
SCHEMBL10768616 0.68 MEN1 (0.40) TP53
SCHEMBL10488519 0.67 TP53 (0.53) TP53KEAP1
SCHEMBL31135393 0.66 MEN1 (0.41) TP53
SCHEMBL11756196 0.62 P2RX4 (0.49) TP53KEAP1
SCHEMBL6361997 0.62 MEN1 (0.55) TP53KEAP1
SCHEMBL9557648 0.61 TSHR (0.50) TP53
SCHEMBL9558221 0.61 CTSD (0.45) TP53
SCHEMBL28057728 0.61 MEN1 (0.44) CA1CA2CA9CA5ATP53

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-5225443-A Lepidotera and Coleoptera insecticides to protect plants ROHM AND HAAS COMPANY (US) 1993-07-06 US disclosed