SCHEMBL8169371

SCHEMBL8169371

CCCc1ccc(-c2[c]ccc(C(=N)N)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.38
NQO2 P16083 1/20 0.37
F2 P00734 5/20 0.37
F10 P00742 3/20 0.37
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
MCL1 Q07820 1/20 0.35
PRSS1 P07477 5/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
CNR2 P34972 1/20 0.34
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
KLKB1 P03952 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
PLK1 P53350 1/20 0.33
LPL P06858 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
SCHEMBL8176603 0.88 NQO2 (0.48) PLAUNQO2F2F10PRSS1
SCHEMBL8170510 0.80 NQO2 (0.44) PLAUNQO2F2F10PRSS1
SCHEMBL8169121 0.80 PRSS1 (0.49) PLAUF2F10PRSS1PRSS2
SCHEMBL6493292 0.78 CNR1 (0.40) NPC1MAPTRAB9AGFERMCL1
SCHEMBL8169720 0.77 C1S (0.44) PLAUNQO2F2PRSS1PRSS2
SCHEMBL8169108 0.77 LMNA (0.48) PLAUNQO2F10PRSS1PRSS2
SCHEMBL8174039 0.77 NQO2 (0.43) PLAUNQO2F10PRSS1PRSS2
SCHEMBL8163067 0.77 PRSS1 (0.54) PLAUNQO2F2F10NPC1
SCHEMBL8557318 0.77 NQO2 (0.48) PLAUNQO2F2F10PRSS1
SCHEMBL8176121 0.77 HTT (0.39) PLAUNQO2F2F10NPC1

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
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