SCHEMBL9548905

SCHEMBL9548905

COc1cc[c]c(I)c1I

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.30
ACHE P22303 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
SCHEMBL2971142 0.73
SCHEMBL27942024 0.72 CA2 (0.47) CA12CA1CA2CA4CA7
SCHEMBL28143595 0.70 CA9 (0.36) CA12CA1CA2CA4CA7
SCHEMBL6720583 0.69 MAPT (0.41) CA12CA1CA2CA4CA7
SCHEMBL77640 0.68 CA9 (0.35) CA12CA1CA2CA4CA7
SCHEMBL315821 0.68 ACHE (0.39) CA12CA1CA2CA4CA7
SCHEMBL253099 0.67 CA1 (0.58) CA12CA1CA2CA4CA7
SCHEMBL1225214 0.67 NFE2L2 (0.36) CA12CA1CA2CA4CA7
SCHEMBL29243082 0.67 TDP1 (0.37) CA12CA1CA2CA4CA7
SCHEMBL945659 0.67 CA2 (0.35) CA12CA1CA2CA4CA7

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-5185450-A Tetrazolium compounds for cell viability assays UNIVERSITY OF SOUTH FLORIDA (US) 1993-02-09 US disclosed