SCHEMBL8170487

SCHEMBL8170487

Cc1ccccc1-c1[c]ccc(C(=N)N)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.43
PRSS2 P07478 7/20 0.43
PRSS3 P35030 7/20 0.43
F2 P00734 6/20 0.39
PLG P00747 5/20 0.39
PLAU P00749 2/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
F10 P00742 2/20 0.38
PLAT P00750 1/20 0.38
F12 P00748 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
PKM P14618 1/20 0.37
BLM P54132 1/20 0.36
C1S P09871 3/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
NOS1 P29475 1/20 0.35

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 0.81 PRSS1 (0.39) PRSS1PRSS2PRSS3F2PLG
SCHEMBL8173657 0.81 C1S (0.42) PRSS1PRSS2PRSS3F2PLG
SCHEMBL8170543 0.78 NR1H4 (0.35) PRSS1F2PLGRECQLKMT2A
SCHEMBL8556617 0.76 F10 (0.37) PRSS1PRSS2PRSS3F2PLG
SCHEMBL9004856 0.75 ESR2 (0.39) PKMKMT2A
SCHEMBL5201643 0.75 PLA2G7 (0.43) BLMKMT2A
SCHEMBL3912578 0.74 NPC1 (0.35) PKMKMT2A
SCHEMBL8170510 0.74 NQO2 (0.44) PRSS1PRSS2PRSS3F2PLG
SCHEMBL8169397 0.74 PRSS1 (0.44) PRSS1PRSS2PRSS3F2PLG
SCHEMBL1950632 0.72 PRSS1 (0.50) PRSS1PRSS2PRSS3F2PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed