SCHEMBL462417

SCHEMBL462417

CC[As](CC)C/C=C\c1cc(F)ccc1S(=O)(=O)Cc1ccc(Br)c(OC)c1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.42
PTGES2 Q9H7Z7 1/20 0.31
POLB P06746 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
SCHEMBL462418 1.00 METAP2 (0.42) METAP2PTGES2POLB
SCHEMBL1649459 0.89 METAP2 (0.43) METAP2PTGES2POLB
SCHEMBL1649460 0.89 METAP2 (0.43) METAP2PTGES2POLB
SCHEMBL6844921 0.89 METAP2 (0.43) METAP2PTGES2POLB
SCHEMBL462796 0.86 METAP2 (0.57) METAP2PTGES2
SCHEMBL436523 0.86 METAP2 (0.57) METAP2PTGES2
SCHEMBL14717510 0.86 METAP2 (0.57) METAP2PTGES2
SCHEMBL1649449 0.83 METAP2 (0.42) METAP2
SCHEMBL436712 0.82 METAP2 (0.41) METAP2POLB
SCHEMBL14717297 0.81 METAP2 (0.48) METAP2PTGES2

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