SCHEMBL21151146

SCHEMBL21151146

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

nearest known ligand 0.73

Predicted protein targets (top 8)

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 0.69
CA7 P43166 2/20 0.69
HTR3A P46098 2/20 0.60
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
SCHEMBL21728989 1.00 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL21282083 0.93 CA1 (0.70) CA9CA1CA2CA12CA14
SCHEMBL17245251 0.93 CA1 (0.70) CA9CA1CA2CA12CA14
SCHEMBL22855043 0.93 CA1 (0.70) CA9CA1CA2CA12CA14
SCHEMBL21183301 0.93 CA1 (0.70) CA9CA1CA2CA12CA14
SCHEMBL18163373 0.92 CA9 (0.68) CA9CA1CA2CA12CA14
SCHEMBL20622624 0.92 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL12608907 0.91 CA9 (0.76) CA9CA1CA2CA12CA14
SCHEMBL21728982 0.90 CA1 (0.66) CA9CA1CA2CA12CA14
SCHEMBL21151022 0.90 CA1 (0.66) 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-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed