SCHEMBL8556445

SCHEMBL8556445

N=C(N)c1cccc(CC(O[C]=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.52
PRSS2 P07478 4/20 0.52
PRSS3 P35030 4/20 0.52
F10 P00742 11/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
F2 P00734 7/20 0.45
PLAU P00749 1/20 0.43
PLG P00747 1/20 0.42
C1S P09871 1/20 0.42

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
SCHEMBL4744355 0.80 EPHX1 (0.42)
SCHEMBL9030495 0.76 F2 (0.53) PRSS1F10F2PLAUPLG
SCHEMBL8555997 0.75 PRSS1 (0.47) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL28426292 0.75 PRSS1 (0.56) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL9030444 0.74 PRSS1 (0.48) PRSS1PRSS2PRSS3F10F2
SCHEMBL288337 0.72 SLC7A5 (0.65) PRSS1PRSS2PRSS3LOXL2
SCHEMBL202409 0.72 SLC7A5 (0.65) PRSS1PRSS2PRSS3LOXL2
SCHEMBL31538733 0.72 SLC7A5 (0.65) PRSS1PRSS2PRSS3LOXL2
SCHEMBL202408 0.72 SLC7A5 (0.65) PRSS1PRSS2PRSS3LOXL2
SCHEMBL8173801 0.70 F7 (0.47) PRSS1PRSS2PRSS3F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed