SCHEMBL6689911

SCHEMBL6689911

N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4ccc(F)cc4F)c3O)cc2c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 13/20 0.71
F3 P13726 10/20 0.71
F2 P00734 8/20 0.61
F10 P00742 8/20 0.61
PRSS1 P07477 8/20 0.61
PRSS2 P07478 2/20 0.61
PRSS3 P35030 2/20 0.61
HPN P05981 1/20 0.52
PLG P00747 7/20 0.50
PLAU P00749 7/20 0.50
PLAT P00750 6/20 0.50
KLKB1 P03952 1/20 0.50

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
SCHEMBL6691777 0.91 F7 (0.71) F7F3F2F10PRSS1
SCHEMBL6690412 0.83 F7 (1.00) F7F3F2F10PRSS1
SCHEMBL6293507 0.82 F7 (0.76) F7F3F2F10PRSS1
SCHEMBL6690705 0.79 F7 (1.00) F7F3F2F10PRSS1
SCHEMBL6687000 0.79 F7 (0.55) F7F3F2F10PRSS1
SCHEMBL6289508 0.77 HPN (0.63) F7F2F10PRSS1PRSS2
SCHEMBL6689788 0.75 F7 (0.63) F7F3F2F10PRSS1
SCHEMBL6393251 0.75 HPN (0.56) F7F3F2F10PRSS1
SCHEMBL6394658 0.75 HPN (0.56) F7F3F2F10PRSS1
SCHEMBL6292953 0.75 F2 (0.70) F7F3F2F10PRSS1

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
WO-2004062661-A1 2-‘5-(5-CARBAMIMIDOYL-1H-HETEROARYL)-6-HYDROXYBIPHENYL-3-YL!- CARBOXYLIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 WO disclosed