SCHEMBL6690412

SCHEMBL6690412

N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4ccccc4)c3O)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 14/20 1.00
F3 P13726 11/20 1.00
F2 P00734 7/20 0.77
F10 P00742 6/20 0.77
PRSS1 P07477 6/20 0.77
PRSS2 P07478 2/20 0.77
PRSS3 P35030 2/20 0.77
PLG P00747 5/20 0.72
PLAU P00749 5/20 0.72
PLAT P00750 5/20 0.72
KLKB1 P03952 1/20 0.69
HPN P05981 1/20 0.60

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
SCHEMBL6690705 0.91 F7 (1.00) F7F3F2F10PRSS1
SCHEMBL6293507 0.86 F7 (0.76) F7F3F2F10PRSS1
SCHEMBL6292958 0.84 F2 (1.00) F7F3F2F10PRSS1
SCHEMBL6427056 0.83 F7 (0.79) F7F3F2F10PRSS1
SCHEMBL6689911 0.83 F7 (0.71) F7F3F2F10PRSS1
SCHEMBL6691777 0.83 F7 (0.71) F7F3F2F10PRSS1
SCHEMBL29682938 0.82 F2 (1.00) F7F3F2F10PRSS1
SCHEMBL1325070 0.82 F2 (1.00) F7F3F2F10PRSS1
SCHEMBL6689506 0.82 F7 (0.73) F7F3F2F10PRSS1
SCHEMBL23752572 0.81 F2 (0.78) 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 2 patents. 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 claimed
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