SCHEMBL11522115

SCHEMBL11522115

NS(=O)(=O)c1ccc(OCCNCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.70
CA2 P00918 7/20 0.70
CA12 O43570 6/20 0.70
CA9 Q16790 6/20 0.70
DRD4 P21917 3/20 0.67
CA7 P43166 2/20 0.67
CA4 P22748 3/20 0.65
CA5A P35218 1/20 0.61
CA5B Q9Y2D0 1/20 0.61
SCN8A Q9UQD0 1/20 0.57
PPARG P37231 1/20 0.57
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.55
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54

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
SCHEMBL6679275 0.82 DRD4 (0.79) CA1CA2CA12CA9DRD4
SCHEMBL8740486 0.81 DRD4 (1.00) DRD4PPARGKMT2ADRD2DRD3
SCHEMBL579379 0.81 CA1 (0.84) CA1CA2CA12CA9CA4
SCHEMBL6961128 0.80 DRD4 (0.77) DRD4PPARGKMT2ADRD2DRD3
SCHEMBL9269749 0.80 DRD4 (0.83) DRD4PPARGKMT2ADRD2DRD3
SCHEMBL9269886 0.79 DRD4 (0.80) DRD4PPARGKMT2ADRD2DRD3
SCHEMBL9269193 0.79 DRD4 (0.80) DRD4PPARGKMT2ADRD2DRD3
Hydrochloric Acid SCHEMBL11130174 0.78 DRD4 (0.79) DRD4SCN8APPARGKMT2ADRD2
Benzenesulfonamide SCHEMBL29119602 0.78 CA2 (0.86) CA1CA2CA12CA9CA7
SCHEMBL10347029 0.77 DRD4 (1.00) DRD4PPARGKMT2ADRD2DRD3

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-4137328-A CONGESTIVE HEART FAILURE PFIZER INC. (US) 1979-01-30 US disclosed