SCHEMBL6294972

SCHEMBL6294972

COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc4cc(C#N)ccc4c3)c(-c3ccc(OCC(C)C)cc3)c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.47
SLC22A12 Q96S37 7/20 0.46
PLA2G7 Q13093 3/20 0.42
KIT P10721 1/20 0.42
SCN9A Q15858 2/20 0.41
TRIM24 O15164 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6300729 0.87 SLC22A12 (0.43) PLAUSLC22A12PLA2G7SCN9ATRIM24
Trifluoroacetic Acid SCHEMBL7157237 0.85 PLA2G7 (0.39) PLAUSLC22A12PLA2G7SCN9AMEN1
Trifluoroacetic Acid SCHEMBL7155223 0.78 PLA2G7 (0.43) PLAUSLC22A12PLA2G7MEN1LMNA
Trifluoroacetic Acid SCHEMBL7150670 0.74 PLA2G7 (0.41) SLC22A12PLA2G7SCN9A
SCHEMBL6295040 0.73 BRD4 (0.43) SLC22A12PLA2G7SCN9A
Trifluoroacetic Acid SCHEMBL7153794 0.71 BRD4 (0.40) PLA2G7SCN9A
Trifluoroacetic Acid SCHEMBL7150674 0.70 PLA2G7 (0.37) SLC22A12PLA2G7SCN9AMEN1MAPT
Trifluoroacetic Acid SCHEMBL7150647 0.68 PLA2G7 (0.44) SLC22A12PLA2G7MEN1ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL6300629 0.68 PLA2G7 (0.44) PLA2G7ALDH1A1LMNA
SCHEMBL6300632 0.67 PLA2G7 (0.43) PLAUPLA2G7LMNA

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