SCHEMBL13680545

SCHEMBL13680545

Cc1cccc(-c2ccc3[nH]c(=O)ccc3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.67
CA9 Q16790 2/20 0.67
F11 P03951 1/20 0.49
MAPT P10636 1/20 0.47
XDH P47989 1/20 0.47
CA1 P00915 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
FYN P06241 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
TNKS2 Q9H2K2 2/20 0.43

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
SCHEMBL16573987 0.85 CA12 (0.73) CA12CA9F11MAPTCA1
SCHEMBL4552802 0.83 CA12 (0.57) CA12CA9F11XDHCA1
SCHEMBL434300 0.81 CA12 (1.00) CA12CA9F11MAPTCA1
SCHEMBL4293404 0.81 HSD17B1 (0.56) CA12CA9F11CA1CA3
SCHEMBL1082494 0.80 GAA (0.50) CA12CA9MAPT
SCHEMBL1082200 0.77 KIF11 (0.56) CA12CA9F11MAPTXDH
SCHEMBL13680450 0.77 CA12 (0.53) CA12CA9F11MAPTXDH
SCHEMBL4553789 0.76 CA12 (0.56) CA12CA9F11CA1CA3
SCHEMBL15345000 0.76 CA12 (0.59) CA12CA9F11MAPTCA1
SCHEMBL1082745 0.76 PGR (0.59) MAPTL3MBTL1POLBNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed