SCHEMBL6300709

SCHEMBL6300709

N#Cc1ccc2cc(Oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3-c3ccsc3C(=O)OC(=O)C(F)(F)F)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 13/20 0.46
ATM Q13315 1/20 0.38
PGR P06401 2/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLAU P00749 1/20 0.36
KAT6A Q92794 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL6300632 0.92 PLA2G7 (0.43) PLA2G7PLAU
SCHEMBL6295010 0.92 PLA2G7 (0.44) PLA2G7ATMMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6300704 0.90 PLA2G7 (0.47) PLA2G7ATMPGRMEN1MAPT
SCHEMBL6296007 0.88 BRD4 (0.42) PLA2G7PGRBRD4
Trifluoroacetic Acid SCHEMBL6295008 0.81 PLA2G7 (0.46) PLA2G7ATMMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6300629 0.81 PLA2G7 (0.44) PLA2G7ATM
Trifluoroacetic Acid SCHEMBL6296006 0.77 BRD4 (0.43) PLA2G7ATMBRD4
SCHEMBL7151200 0.75 PRSS1 (0.50) PLA2G7PGRMEN1MAPTHTT
SCHEMBL7154784 0.70 PLA2G7 (0.45) PLA2G7MEN1MAPTHTTKMT2A
Trifluoroacetic Acid SCHEMBL7155223 0.70 PLA2G7 (0.43) PLA2G7MEN1KMT2APLAU

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-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed