SCHEMBL9612082

SCHEMBL9612082

NS(=O)(=O)c1cccc(NO)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.62
CA1 P00915 15/20 0.62
CA12 O43570 8/20 0.62
CA9 Q16790 8/20 0.62
MAPT P10636 2/20 0.62
POLB P06746 1/20 0.55
CA4 P22748 1/20 0.55

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
SCHEMBL2632848 0.85 CA2 (0.50) CA2CA1CA12CA9MAPT
SCHEMBL9353883 0.82 TSHR (0.53) CA2CA1CA12CA9MAPT
SCHEMBL359584 0.82 CA2 (0.64) CA2CA1CA12CA9MAPT
SCHEMBL29932745 0.80 CA2 (0.61) CA2CA1CA12CA9MAPT
Hydrochloric Acid SCHEMBL11777840 0.80 CA2 (0.61) CA2CA1CA12CA9MAPT
SCHEMBL8349259 0.80 CA2 (0.61) CA2CA1CA12CA9MAPT
SCHEMBL27747721 0.79 CA1 (0.76) CA2CA1CA12CA9MAPT
SCHEMBL359383 0.79 CA1 (0.73) CA2CA1CA12CA9MAPT
SCHEMBL1593097 0.78 CA1 (0.64) CA2CA1CA12CA9MAPT
SCHEMBL7495027 0.78 CA1 (0.69) CA2CA1CA12CA9MAPT

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-2137166-B1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2012-05-30 EP disclosed