SCHEMBL6300632

SCHEMBL6300632

COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc4cc(C#N)ccc4c3)c(-c3ccsc3C(=O)OC(=O)C(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 17/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
PLAU P00749 1/20 0.38

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
SCHEMBL6295010 0.94 PLA2G7 (0.44) PLA2G7
SCHEMBL6300709 0.92 PLA2G7 (0.46) PLA2G7PLAU
SCHEMBL6296007 0.90 BRD4 (0.42) PLA2G7
Trifluoroacetic Acid SCHEMBL6300629 0.90 PLA2G7 (0.44) PLA2G7LMNAHPGDTSHR
Trifluoroacetic Acid SCHEMBL6295008 0.84 PLA2G7 (0.46) PLA2G7
Trifluoroacetic Acid SCHEMBL6300704 0.81 PLA2G7 (0.47) PLA2G7
Trifluoroacetic Acid SCHEMBL6296006 0.79 BRD4 (0.43) PLA2G7
SCHEMBL7154784 0.73 PLA2G7 (0.45) PLA2G7LMNAPLAU
Trifluoroacetic Acid SCHEMBL7155223 0.73 PLA2G7 (0.43) PLA2G7LMNATSHRPLAU
Trifluoroacetic Acid SCHEMBL7150647 0.71 PLA2G7 (0.44) PLA2G7LMNA

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