Sugi Predict

Sugi Predict / Compounds / SCHEMBL7253291

SCHEMBL7253291

SCHEMBL7253291

N=C(N)c1ccc2[nH]c(-c3cc(C(CC(=O)O)C(=O)O)cc(-c4cccc(N)c4)c3O)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 18/20 0.78
▸ F3 P13726 8/20 0.78
▸ KLKB1 P03952 8/20 0.61
▸ F2 P00734 1/20 0.57
▸ F10 P00742 1/20 0.57
▸ PRSS1 P07477 1/20 0.57
▸ PRSS2 P07478 1/20 0.57
▸ PRSS3 P35030 1/20 0.57

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
SCHEMBL6427056 0.92 F7 (0.79) F7F3KLKB1F2F10
SCHEMBL7253199 0.91 F7 (0.77) F7F3KLKB1F2F10
SCHEMBL7253477 0.88 F7 (0.74) F7F3KLKB1F2F10
SCHEMBL6389292 0.88 F7 (1.00) F7F3KLKB1F2F10
SCHEMBL6395212 0.85 F7 (0.70) F7F3KLKB1F2F10
SCHEMBL6690705 0.85 F7 (1.00) F7F3KLKB1F2F10
SCHEMBL7252686 0.85 F7 (0.88) F7F3KLKB1
SCHEMBL6393294 0.82 F3 (0.70) F7F3KLKB1
SCHEMBL6428578 0.81 F7 (0.64) F7F3KLKB1F2F10
SCHEMBL7258358 0.77 F7 (0.88) F7F3KLKB1

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-2003006670-A2 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)-6-HYDROXYBIPHENYL-3-YL]-SUCCINIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-01-23 — — WO claimed
WO-2003006670-A2 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)-6-HYDROXYBIPHENYL-3-YL]-SUCCINIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-01-23 — — WO disclosed