SCHEMBL9030495

SCHEMBL9030495

N=C(N)c1ccc(CCC(O[C]=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.53
F10 P00742 13/20 0.50
PRSS1 P07477 7/20 0.46
TPSAB1 Q15661 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PLAU P00749 2/20 0.42
KLK8 O60259 1/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
KLK1 P06870 1/20 0.42
KLK2 P20151 1/20 0.42
KLK4 Q9Y5K2 1/20 0.42
MASP2 O00187 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
SCHEMBL9030444 0.79 PRSS1 (0.48) F2F10PRSS1PLAUPLG
SCHEMBL8174692 0.78 F2 (0.42) F2F10PRSS1PLAU
SCHEMBL8556445 0.76 PRSS1 (0.52) F2F10PRSS1PLAUPLG
SCHEMBL9029742 0.76 F2 (0.43) F2F10PRSS1TPSAB1ITGB3
SCHEMBL8173801 0.76 F7 (0.47) F2F10PRSS1TPSAB1PLAU
SCHEMBL9031211 0.75 F10 (0.48) F2F10PRSS1
SCHEMBL8169531 0.75 F2 (0.40) F2F10PRSS1PLAUPLG
SCHEMBL8174677 0.74 TPSAB1 (0.39) TPSAB1
SCHEMBL9030101 0.72 ALDH1A1 (0.49) F2F10PRSS1TPSAB1
SCHEMBL8560464 0.72 C3AR1 (0.39) F10PRSS1TPSAB1PLAU

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-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed