SCHEMBL7600977

SCHEMBL7600977

N=C(N)c1cccc(CCC(=O)NCc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.58
PRSS1 P07477 11/20 0.55
PRSS2 P07478 8/20 0.55
PRSS3 P35030 8/20 0.55
F2 P00734 7/20 0.55
PLG P00747 2/20 0.54
PROC P04070 1/20 0.54
KLK1 P06870 1/20 0.54
PLAT P00750 1/20 0.54
F7 P08709 1/20 0.54
SCN9A Q15858 1/20 0.51

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
SCHEMBL7450111 0.87 F10 (0.72) F10PRSS1PRSS2PRSS3F2
SCHEMBL7599290 0.82 F10 (0.60) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL7120279 0.82 F10 (0.67) F10PRSS1PRSS2PRSS3F2
SCHEMBL7452309 0.81 F10 (0.64) F10PRSS1PRSS2PRSS3F2
SCHEMBL6752166 0.80 F10 (0.66) F10PRSS1PRSS2PRSS3F2
SCHEMBL6303962 0.78 F10 (0.60) F10PRSS1PRSS2PRSS3F2
SCHEMBL15555221 0.78 CA2 (0.55) F2
SCHEMBL7509352 0.78 F10 (0.49) F10PRSS1PRSS2PRSS3F2
SCHEMBL7594804 0.78 F10 (0.64) F10PRSS1PRSS2PRSS3F2
SCHEMBL6994355 0.78 PRSS1 (0.56) F10PRSS1PRSS2PRSS3F2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257530-A1 AMINOSULFONYLBIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2002-11-20 EP claimed
WO-2001062717-A1 AMINOSULFONYLBIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2001-08-30 WO claimed
EP-1257530-A1 AMINOSULFONYLBIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2002-11-20 EP disclosed
WO-2001062717-A1 AMINOSULFONYLBIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2001-08-30 WO disclosed