SCHEMBL4301505

SCHEMBL4301505

COc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 8/20 0.80
▸ CA2 P00918 8/20 0.80
▸ CA9 Q16790 7/20 0.80
▸ CA12 O43570 4/20 0.80
▸ CA7 P43166 3/20 0.74
▸ CA14 Q9ULX7 3/20 0.74
▸ ALDH1A1 P00352 4/20 0.73
▸ KMT2A Q03164 4/20 0.73
▸ MEN1 O00255 3/20 0.73
▸ CACNA1B Q00975 1/20 0.73
▸ APBA1 Q02410 1/20 0.73
▸ TSHR P16473 1/20 0.72
▸ USP2 O75604 1/20 0.69
▸ RXFP1 Q9HBX9 1/20 0.67
▸ MAPT P10636 3/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ CA4 P22748 1/20 0.64
▸ LMNA P02545 1/20 0.64

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
SCHEMBL15618832 0.88 RAB9A (0.77) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL4312183 0.88 MEN1 (0.93) CA1CA2CA9CA12CA7
SCHEMBL15888499 0.85 CA1 (0.86) CA1CA2CA9CA12CA7
SCHEMBL4305965 0.84 CA1 (0.89) CA1CA2CA9CA12CA7
SCHEMBL17117393 0.84 CA1 (0.72) CA1CA2CA9CA12CA7
SCHEMBL13625624 0.83 CA1 (0.72) CA1CA2CA9CA12CA7
SCHEMBL30628487 0.83 CA1 (0.86) CA1CA2CA9CA12CA7
SCHEMBL13401865 0.83 CA1 (0.86) CA1CA2CA9CA12CA7
SCHEMBL8868584 0.82 CA2 (0.86) CA1CA2CA9CA12CA7
SCHEMBL6046379 0.82 MEN1 (0.90) CA1CA2CA9CA12CA7

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-2009140743-A2 BLOOD IMAGING KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-11-26 — — WO disclosed
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