Sugi Predict

Sugi Predict / Compounds / SCHEMBL7449689

SCHEMBL7449689

SCHEMBL7449689

CC(C)C(CC(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.64
▸ PRSS1 P07477 9/20 0.64
▸ PLG P00747 1/20 0.60
▸ PROC P04070 1/20 0.60
▸ F2 P00734 2/20 0.59
▸ PRSS2 P07478 1/20 0.58
▸ PRSS3 P35030 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58

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
SCHEMBL7456506 0.92 F10 (0.67) F10PRSS1PLGPROCF2
SCHEMBL7448831 0.85 F10 (0.64) F10PRSS1PLGPROCF2
SCHEMBL7447499 0.85 F10 (0.63) F10PRSS1PLGPROCF2
SCHEMBL7456148 0.82 F10 (0.60) F10PRSS1PLGPROCPRSS2
SCHEMBL7455142 0.81 F10 (0.67) F10PRSS1PLGPROCF2
SCHEMBL7061403 0.80 F10 (0.64) F10PRSS1PLGF2PRSS2
SCHEMBL7451435 0.79 F10 (0.57) F10PRSS1PLGPROCF2
SCHEMBL7451424 0.79 F10 (0.61) F10PRSS1PLGPROCF2
SCHEMBL7406525 0.79 F10 (0.77) F10PRSS1F2PRSS2PRSS3
SCHEMBL7451044 0.79 F10 (0.70) F10PRSS1PLGPROCF2

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