Sugi Predict

Sugi Predict / Compounds / SCHEMBL7447939

SCHEMBL7447939

SCHEMBL7447939

COc1ccc(C(=N)N)cc1CCC(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.65
▸ PRSS1 P07477 10/20 0.65
▸ F2 P00734 6/20 0.58
▸ F9 P00740 1/20 0.58
▸ PRSS2 P07478 1/20 0.53
▸ PRSS3 P35030 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53

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
SCHEMBL7455935 0.91 F10 (0.69) F10PRSS1F2F9PRSS2
SCHEMBL7453073 0.88 F10 (0.70) F10PRSS1F2F9PRSS2
SCHEMBL7449246 0.86 F10 (0.63) F10PRSS1F2F9PRSS2
SCHEMBL7448086 0.84 F10 (0.65) F10PRSS1PRSS2PRSS3
SCHEMBL7594804 0.82 F10 (0.64) F10PRSS1F2F9PRSS2
SCHEMBL7450111 0.81 F10 (0.72) F10PRSS1F2PRSS2PRSS3
SCHEMBL7473566 0.79 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL7113702 0.77 F10 (1.00) F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7120279 0.76 F10 (0.67) F10PRSS1F2PRSS2PRSS3
SCHEMBL7478524 0.76 F10 (1.00) F10PRSS1PRSS2PRSS3

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
EP-1189879-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-27 — — EP disclosed
WO-2000071512-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 — — WO disclosed