SCHEMBL13019272

SCHEMBL13019272

Cc1cc(NC(=O)CCCc2ccc(N3C(=O)C=CC3=O)cc2)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 12/20 0.47
▸ CA1 P00915 11/20 0.46
▸ CA2 P00918 11/20 0.46
▸ CA12 O43570 7/20 0.46
▸ CA14 Q9ULX7 4/20 0.46
▸ CA7 P43166 3/20 0.46
▸ ALB P02768 2/20 0.46
▸ ESR1 P03372 1/20 0.43
▸ DNASE1L3 Q13609 1/20 0.42
▸ PRMT1 Q99873 1/20 0.42
▸ USP2 O75604 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PLEC Q15149 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ELF3 P78545 2/20 0.40
▸ MED23 Q9ULK4 2/20 0.40

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
SCHEMBL12657220 0.90 CA9 (0.58) CA9CA1CA2CA12CA14
SCHEMBL17210588 0.76 USP2 (0.50) CA9CA1CA2CA12CA14
SCHEMBL12657852 0.74 CA9 (0.57) CA9CA1CA2CA12CA14
SCHEMBL1103795 0.74 USP2 (0.69) CA9CA1CA2CA12CA14
SCHEMBL17067944 0.73 CA9 (0.61) CA9CA1CA2CA12CA14
SCHEMBL12909301 0.73 USP2 (0.68) CA9CA1CA2CA12ESR1
SCHEMBL17903564 0.73 CA9 (0.53) CA9CA1CA2CA12CA14
SCHEMBL14211562 0.72 CA9 (0.44) CA9CA1CA2CA12CA14
SCHEMBL14642993 0.71 CA1 (0.56) CA9CA1CA2CA12CA14
SCHEMBL17893674 0.70 KDM4E (0.49) 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
EP-2256133-A1 Bioconjugation of macromolecules Sigma-Aldrich Co. (US) 2010-12-01 — — EP disclosed
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