SCHEMBL14620250

SCHEMBL14620250

NCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(N=O)ccc23)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.54
▸ CA1 P00915 16/20 0.54
▸ CA2 P00918 16/20 0.54
▸ USP2 O75604 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CA12 O43570 7/20 0.52
▸ CA14 Q9ULX7 3/20 0.51
▸ CA7 P43166 2/20 0.50
▸ KDM6B O15054 1/20 0.46
▸ KDM4A O75164 1/20 0.46
▸ KDM2A Q9Y2K7 1/20 0.46

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
SCHEMBL14426895 0.88 USP2 (0.68) CA9CA1CA2USP2L3MBTL1
SCHEMBL18773696 0.86 CA9 (0.57) CA9CA1CA2USP2L3MBTL1
SCHEMBL13083473 0.84 CA9 (0.55) CA9CA1CA2USP2L3MBTL1
SCHEMBL14847588 0.80 USP2 (0.56) CA9CA1CA2USP2L3MBTL1
SCHEMBL17243936 0.80 DNASE1L3 (0.70) CA9CA1CA2USP2L3MBTL1
SCHEMBL14527509 0.79 CA9 (0.66) CA9CA1CA2USP2L3MBTL1
5-Iodoacetamidofluorescein SCHEMBL10146553 0.79 CA9 (0.66) CA9CA1CA2USP2L3MBTL1
SCHEMBL12793932 0.79 CA9 (0.66) CA9CA1CA2USP2L3MBTL1
SCHEMBL20059101 0.77 CA9 (0.64) CA9CA1CA2USP2L3MBTL1
SCHEMBL13971293 0.77 USP2 (0.72) CA9CA1CA2USP2L3MBTL1

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-7160735-B2 Tagged microparticle compositions and methods MONOGRAM BIOSCIENCES, INC. (US) 2007-01-09 — — US disclosed
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