SCHEMBL6300729

SCHEMBL6300729

Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc4cc(C#N)ccc4c3)c(-c3ccc(OCC(C)C)cc3)c2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.43
PLA2G7 Q13093 9/20 0.43
SCN9A Q15858 1/20 0.41
TRIM24 O15164 2/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL6294972 0.87 PLAU (0.47) SLC22A12PLA2G7SCN9ATRIM24PLAU
Trifluoroacetic Acid SCHEMBL7150670 0.85 PLA2G7 (0.41) SLC22A12PLA2G7SCN9A
Trifluoroacetic Acid SCHEMBL7150647 0.75 PLA2G7 (0.44) SLC22A12PLA2G7
Trifluoroacetic Acid SCHEMBL7157237 0.73 PLA2G7 (0.39) SLC22A12PLA2G7SCN9APLAU
SCHEMBL6295040 0.72 BRD4 (0.43) SLC22A12PLA2G7SCN9A
Trifluoroacetic Acid SCHEMBL7150674 0.71 PLA2G7 (0.37) SLC22A12PLA2G7SCN9A
Trifluoroacetic Acid SCHEMBL7153794 0.69 BRD4 (0.40) PLA2G7SCN9A
SCHEMBL17654333 0.66 SLC6A2 (0.52)
Trifluoroacetic Acid SCHEMBL7155223 0.65 PLA2G7 (0.43) SLC22A12PLA2G7PLAU
SCHEMBL8475188 0.65 PRSS1 (0.44) PLA2G7

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 1 patent. 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