SCHEMBL462936

SCHEMBL462936

COC(=O)c1c([AsH]S(=O)(=O)c2ccccc2Br)ccc2c1OCc1occc1-2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.32
POLB P06746 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL436540 0.83 KLK7 (0.42) KLK7POLBRECQL
SCHEMBL435061 0.71 POLB (0.34) POLB
SCHEMBL434788 0.71 METAP2 (0.54) KLK7
SCHEMBL27917950 0.67 PARP1 (0.40) POLB
SCHEMBL10283925 0.67 METAP2 (0.53)
SCHEMBL436258 0.63 POLB (0.34) POLB
SCHEMBL436027 0.62 MAPT (0.35) POLB
SCHEMBL1925199 0.57 MAPT (0.44) KLK7POLBCA1CA2CA5A
SCHEMBL1648256 0.55 PLCG1 (0.41) KLK7POLBCA1CA2CA5A
SCHEMBL851838 0.55 CA1 (0.61) CA1CA2CA5ACA9RECQL

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
EP-2595988-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-05-29 EP disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 WO disclosed