SCHEMBL8551224

SCHEMBL8551224

NS(=O)(=O)c1ccc(-c2cccc(C(C(=O)O)c3ncco3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.46
CA9 Q16790 14/20 0.46
CA12 O43570 11/20 0.46
CA1 P00915 14/20 0.44
CA14 Q9ULX7 4/20 0.43
CTSA P10619 2/20 0.40
SYK P43405 1/20 0.39
LRRK2 Q5S007 2/20 0.38

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
SCHEMBL5732085 0.80 CA2 (0.43) CA2CA9CA12CA1CA14
SCHEMBL5734311 0.79 CA1 (0.49) CA2CA9CA12CA1CA14
SCHEMBL5733048 0.78 CA2 (0.41) CA2CA9CA12CA1CA14
SCHEMBL6426003 0.75 CYP2D6 (0.44) CTSA
SCHEMBL5732083 0.70 KMT2A (0.41) CA2CA9CA12CA1CA14
SCHEMBL6000520 0.70 CA1 (0.52) CA2CA9CA12CA1CA14
SCHEMBL5732942 0.69 CA2 (0.43) CA2CA9CA12CA1CA14
SCHEMBL5823422 0.69 CA2 (0.48) CA2CA9CA12CA1CA14
SCHEMBL5733045 0.68 DRD1 (0.40) CA2CA9CA12CA1CA14
SCHEMBL24721510 0.68 CA2 (0.68) CA2CA9CA12CA1CA14

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-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed