SCHEMBL488456

SCHEMBL488456

CCN(CC)CCS(=O)(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.41
LPL P06858 2/20 0.41
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA9 Q16790 6/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
BRD4 O60885 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL488684 0.88 CA1 (0.42) LIPGLPLCA1CA2CA9
SCHEMBL2508131 0.87 LPL (0.48) LIPGLPLCA1CA2CA9
SCHEMBL488760 0.85 CA1 (0.57) LIPGLPLCA1CA2CA9
SCHEMBL16238072 0.85 LPL (0.48) LIPGLPLCA1CA2CA9
SCHEMBL488274 0.77 SRC (0.44) LIPGLPLCA1CA2CA9
SCHEMBL488887 0.77 CA1 (0.39) LIPGLPLCA1CA2CA9
SCHEMBL31438926 0.77 CA1 (0.50) LIPGLPLCA1CA2CA9
SCHEMBL393567 0.77 CA1 (0.50) LIPGLPLCA1CA2CA9
SCHEMBL488893 0.76 SRC (0.44) LIPGLPLCA1CA2CA9
SCHEMBL10391 0.76 HTT (0.49) LIPGLPLCA1CA2CA9

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