SCHEMBL6172358

SCHEMBL6172358

COc1cc(Cc2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.70
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
ABCB1 P08183 1/20 0.45

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
Oxalic Acid SCHEMBL6173105 0.98 F2 (0.70) F2GAATSHRABCB1
Oxalic Acid SCHEMBL6174305 0.85 F2 (0.52) F2TSHR
SCHEMBL7819814 0.84 GAA (0.51) F2GAATSHRABCB1
SCHEMBL6174701 0.84 F2 (0.83) F2ABCB1
SCHEMBL7773967 0.83 F2 (1.00) F2
SCHEMBL6173229 0.83 F2 (0.87) F2
SCHEMBL6597428 0.82 F2 (1.00) F2
SCHEMBL6171704 0.82 F2 (0.75) F2ABCB1
SCHEMBL7768160 0.81 F2 (1.00) F2
SCHEMBL7772398 0.81 F2 (1.00) F2

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
EP-1027051-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-01-05 EP disclosed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US disclosed