SCHEMBL488838

SCHEMBL488838

CN(C)CCS(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.59
CA2 P00918 12/20 0.59
CA9 Q16790 12/20 0.59
CA12 O43570 1/20 0.59
CA3 P07451 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA14 Q9ULX7 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
THRA P10827 1/20 0.41
LPL P06858 7/20 0.40
LIPG Q9Y5X9 7/20 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
SCHEMBL488760 0.87 CA1 (0.57) CA1CA2CA9CA12CA3
SCHEMBL488684 0.85 CA1 (0.42) CA1CA2CA9CA12CA3
SCHEMBL12707453 0.85 CA1 (0.64) CA1CA2CA9CA12CA3
SCHEMBL24133598 0.83 CA1 (0.69) CA1CA2CA9CA12CA3
SCHEMBL28512125 0.82 CA1 (0.61) CA1CA2CA9CA12CA3
SCHEMBL15957129 0.81 CA1 (0.39) CA1CA2CA9CA12CA3
SCHEMBL23112919 0.81 CA1 (0.50) CA1CA2CA9CA12CA3
SCHEMBL15091821 0.80 CA1 (0.42) CA1CA2CA9CA12CA3
SCHEMBL23281878 0.79 CA1 (0.57) CA1CA2CA9CA12CA3
SCHEMBL2415277 0.79 CA1 (0.68) CA1CA2CA9CA12CA3

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-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed