SCHEMBL8556617

SCHEMBL8556617

N=C(N)c1cc[c]c(-c2cccc(Cl)c2Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
PRSS1 P07477 8/20 0.37
PRSS2 P07478 5/20 0.37
PRSS3 P35030 5/20 0.37
F2 P00734 3/20 0.37
PLG P00747 3/20 0.37
C1S P09871 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.35
SLC9A1 P19634 1/20 0.35
F7 P08709 1/20 0.34
PLAU P00749 2/20 0.33
KLK1 P06870 2/20 0.33
NOS1 P29475 1/20 0.33
KLKB1 P03952 1/20 0.33
PLAT P00750 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL8162967 0.88 PRSS1 (0.39) F10PRSS1PRSS2PRSS3F2
SCHEMBL8170487 0.76 PRSS1 (0.43) F10PRSS1PRSS2PRSS3F2
SCHEMBL8173657 0.76 C1S (0.42) F10PRSS1PRSS2PRSS3F2
SCHEMBL9030801 0.75 PRSS1 (0.44) F10PRSS1PRSS2PRSS3F2
SCHEMBL8169108 0.72 LMNA (0.48) F10PRSS1PRSS2PRSS3C1S
SCHEMBL1950671 0.70 LMNA (0.43) F10PRSS1PRSS2PRSS3F2
SCHEMBL8162971 0.69 C1S (0.57) PRSS1PRSS2PRSS3F2PLG
SCHEMBL8169397 0.69 PRSS1 (0.44) F10PRSS1PRSS2PRSS3F2
SCHEMBL4007973 0.69 NOTUM (0.38) IDO1
SCHEMBL7799755 0.67 P2RX7 (0.38)

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