SCHEMBL6377229

SCHEMBL6377229

N=C(N)c1ccc2cc(Oc3ccc(NS(=O)(=O)c4cccc(C(=O)O)c4)cc3-c3ccccc3C(=O)O)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
F2 P00734 2/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
F10 P00742 3/20 0.44
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
PFKFB3 Q16875 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TMPRSS6 Q8IU80 1/20 0.41
PLAU P00749 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL7180418 0.95 F2 (0.49) AKR1C3F2KMT2AMEN1PRSS1
SCHEMBL6300754 0.89 PRSS1 (0.47) F2KMT2AMEN1PRSS1PRSS2
SCHEMBL6295817 0.88 PLA2G7 (0.46) F2KMT2AMEN1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7154584 0.88 F2 (0.44) AKR1C3F2PRSS1PRSS2PRSS3
SCHEMBL8475188 0.86 PRSS1 (0.44) F2KMT2AMEN1PRSS1PRSS2
SCHEMBL6295821 0.86 PLA2G7 (0.44) F2KMT2AMEN1PRSS1PRSS2
SCHEMBL6300757 0.86 PLA2G7 (0.44) F2KMT2AMEN1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6294978 0.85 F2 (0.49) F2KMT2AMEN1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7158713 0.85 F2 (0.48) F2KMT2AMEN1PRSS1PRSS2
SCHEMBL6294700 0.85 PRSS1 (0.55) AKR1C3F2KMT2AMEN1PRSS1

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