SCHEMBL7379391

SCHEMBL7379391

Cc1cc(OCC#N)cc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 17/20 0.50
▸ ALPL P05186 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ PRSS2 P07478 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL3639421 0.82 F2 (0.53) F2PRSS2
SCHEMBL3642375 0.81 F2 (0.55) F2PRSS2
SCHEMBL4642756 0.81 TDP1 (0.55) F2ALPLTDP1GAAMAPK1
SCHEMBL14878116 0.81 F2 (0.55) F2PRSS2
SCHEMBL7444372 0.81 F2 (0.53) F2
SCHEMBL3642393 0.80 F2 (0.54) F2PRSS2
SCHEMBL7377227 0.80 F2 (0.54) F2PRSS2
SCHEMBL7332517 0.80 F2 (0.54) F2PRSS2
SCHEMBL8160877 0.80 F2 (0.54) F2PRSS2
SCHEMBL5866160 0.78 F2 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5795892-A ANTICOAGULANTS BOEHRINGER MANNEIM GMBH (DE) 1998-08-18 — — US disclosed
EP-0778829-A1 NOVEL 4-AMINOPYRIDAZINES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1997-06-18 — — EP disclosed
WO-1996006832-A1 NOVEL 4-AMINOPYRIDAZINES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1996-03-07 — — WO disclosed
Send feedback