SCHEMBL6994355

SCHEMBL6994355

N=C(N)c1cccc(C[CH]CCc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.56
PRSS2 P07478 10/20 0.56
PRSS3 P35030 10/20 0.56
F2 P00734 9/20 0.56
F10 P00742 12/20 0.55
PLG P00747 1/20 0.54
PLAT P00750 1/20 0.54
F7 P08709 1/20 0.54

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
SCHEMBL27570346 0.88 F10 (0.47) PRSS1PRSS2PRSS3F2F10
SCHEMBL27589110 0.81 F10 (0.44) PRSS1PRSS2PRSS3F2F10
SCHEMBL7600977 0.78 F10 (0.58) PRSS1PRSS2PRSS3F2F10
SCHEMBL7450111 0.76 F10 (0.72) PRSS1PRSS2PRSS3F2F10
SCHEMBL5885649 0.76 F2 (0.77) PRSS1PRSS2PRSS3F2F10
SCHEMBL7114685 0.76 F10 (0.70) PRSS1F2F10PLGPLAT
SCHEMBL7067776 0.76 F10 (0.61) PRSS1PRSS2PRSS3F2F10
SCHEMBL7072812 0.76 F10 (0.64) PRSS1PRSS2PRSS3F2F10
Hydrochloric Acid SCHEMBL5885248 0.75 F2 (0.76) PRSS1PRSS2PRSS3F2F10
SCHEMBL7069811 0.74 F10 (0.59) PRSS1PRSS2PRSS3F2F10

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-1309573-A1 URETHANE DERIVATIVES MERCK PATENT GmbH (DE) 2003-05-14 EP claimed
WO-2002010145-A1 URETHANE DERIVATIVES MERCK PATENT GMBH (DE) 2002-02-07 WO claimed