SCHEMBL12185092

SCHEMBL12185092

CCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 16/20 0.73
CA1 P00915 15/20 0.73
CA2 P00918 15/20 0.73
CA12 O43570 7/20 0.73
CA14 Q9ULX7 3/20 0.73
CA7 P43166 2/20 0.73
FKBP1A P62942 1/20 0.60
USP2 O75604 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PTGER3 P43115 1/20 0.59

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
SCHEMBL19426705 0.95 CA9 (0.71) CA9CA1CA2CA12CA14
SCHEMBL13219607 0.94 CA1 (0.72) CA9CA1CA2CA12CA14
SCHEMBL13815114 0.93 CA1 (0.71) CA9CA1CA2CA12CA14
SCHEMBL14164948 0.93 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL24257626 0.93 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL15958213 0.93 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL14032096 0.92 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL17793595 0.92 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL17049667 0.92 CA9 (0.74) CA9CA1CA2CA12CA14
SCHEMBL14089616 0.91 CA9 (0.73) CA9CA1CA2CA12CA14

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
WO-2011143262-A2 ZANAMIVIR PHOSPHONATE CONGENERS WITH ANTI-INFLUENZA ACTIVITY AND DETERMINING OSELTAMIVIR SUSCEPTIBILITY OF INFLUENZA VIRUSES SINICA, ACADEMIA (TW) 2011-11-17 WO disclosed