SCHEMBL14559799

SCHEMBL14559799

CC/C(C)=N\NC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 18/20 0.66
▸ CA1 P00915 17/20 0.66
▸ CA2 P00918 17/20 0.66
▸ CA12 O43570 8/20 0.63
▸ CA14 Q9ULX7 4/20 0.62
▸ CA7 P43166 2/20 0.60
▸ USP2 O75604 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL25341857 0.89 CA9 (0.66) CA9CA1CA2CA12CA14
SCHEMBL15828111 0.87 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL14164948 0.87 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL14086339 0.86 CA9 (0.69) CA9CA1CA2CA12CA14
SCHEMBL13097493 0.85 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL12231957 0.85 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL2234764 0.85 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL12185092 0.85 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL15958213 0.85 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL14527509 0.84 CA9 (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
US-7193034-B2 Synthetic peptides, conjugation reagents and methods REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-20 — — US disclosed
Send feedback