SCHEMBL7599290

SCHEMBL7599290

N=C(N)c1cccc(CCC(=O)Nc2cccc(-c3ccccc3S(N)(=O)=O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.60
PRSS1 P07477 10/20 0.60
PRSS2 P07478 4/20 0.57
PRSS3 P35030 4/20 0.57
F2 P00734 4/20 0.53
KCNH2 Q12809 1/20 0.50

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
SCHEMBL7600818 0.91 F10 (0.56) F10PRSS1PRSS2PRSS3F2
SCHEMBL7450111 0.91 F10 (0.72) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL7120279 0.85 F10 (0.67) F10PRSS1PRSS2PRSS3F2
SCHEMBL7452309 0.85 F10 (0.64) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL7598687 0.83 PRSS1 (0.58) F10PRSS1PRSS2PRSS3F2
SCHEMBL7600977 0.82 F10 (0.58) F10PRSS1PRSS2PRSS3F2
SCHEMBL6303962 0.82 F10 (0.60) F10PRSS1PRSS2PRSS3F2
SCHEMBL7594804 0.80 F10 (0.64) F10PRSS1PRSS2PRSS3F2
SCHEMBL7600944 0.79 F10 (0.49) F10PRSS1PRSS2PRSS3F2
SCHEMBL7600388 0.78 TSHR (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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