SCHEMBL9744894

SCHEMBL9744894

O=C(O)c1cc(O)c(I)c(I)c1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
ALDH1A1 P00352 5/20 0.41
CA12 O43570 4/20 0.41
CA7 P43166 4/20 0.41
CA9 Q16790 4/20 0.41
CA14 Q9ULX7 4/20 0.41
PTGS2 P35354 2/20 0.41
ALOX5 P09917 1/20 0.41
TSHR P16473 1/20 0.41
THRB P10828 2/20 0.41
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TPMT P51580 1/20 0.39
HMGB1 P09429 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
MAPT P10636 3/20 0.39

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
SCHEMBL31493862 0.79 KDM4E (0.41) CA1CA2ALDH1A1CA12CA7
SCHEMBL23600930 0.79 CA1 (0.40) CA1CA2ALDH1A1CA12CA7
SCHEMBL3371190 0.78 TPMT (0.52) CA1CA2ALDH1A1CA12CA7
SCHEMBL23600929 0.76 SELL (0.54) CA1CA2ALDH1A1CA12CA7
SCHEMBL23600935 0.76 CSNK2A1 (0.44) CA1CA2ALDH1A1CA12CA7
SCHEMBL17893926 0.76 CA1 (0.38) CA1CA2ALDH1A1CA12CA7
SCHEMBL4382058 0.74 KDM4E (0.43) ALDH1A1PTGS2THRBKDM4EHPGD
SCHEMBL23756593 0.74 CSNK2A1 (0.42) CA1CA2ALDH1A1CA12CA7
SCHEMBL163610 0.73 CA1 (0.59) CA1CA2ALDH1A1CA12CA7
SCHEMBL419764 0.73 CA1 (0.52) CA1CA2ALDH1A1CA12CA7

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-5094943-A Superoxide dimutase BOEHRINGER MANNHEIM GMBH (DE) 1992-03-10 US disclosed