Sugi Predict

Sugi Predict / Compounds / SCHEMBL7404659

SCHEMBL7404659

SCHEMBL7404659

COC[C@H](Nc1cccc(C(=N)N)c1)C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.57
▸ F2 P00734 4/20 0.57
▸ PRSS1 P07477 10/20 0.56
▸ PRSS2 P07478 2/20 0.52
▸ PRSS3 P35030 2/20 0.52
▸ PLG P00747 1/20 0.51
▸ PROC P04070 1/20 0.51

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
SCHEMBL7405018 0.93 F10 (0.64) F10F2PRSS1PRSS2PRSS3
SCHEMBL7406464 0.92 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL7406449 0.90 F10 (0.56) F10F2PRSS1PRSS2PRSS3
SCHEMBL7403464 0.90 F10 (0.57) F10F2PRSS1PRSS2PRSS3
Bicarbonate SCHEMBL7407402 0.88 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL7407398 0.86 F10 (0.62) F10F2PRSS1PRSS2PRSS3
SCHEMBL7409027 0.86 F10 (0.60) F10F2PRSS1PRSS2PRSS3
SCHEMBL7406662 0.85 F10 (0.59) F10F2PRSS1PRSS2PRSS3
SCHEMBL7406262 0.85 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL7401984 0.85 F10 (0.53) F10F2PRSS1PRSS2PRSS3

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-2002030880-A2 N-SUBSTITUTED AMINO ACID DERIVATIVES (FACTOR XA INHIBITORS) MERCK PATENT GMBH (DE) 2002-04-18 — — WO claimed
WO-2002030880-A2 N-SUBSTITUTED AMINO ACID DERIVATIVES (FACTOR XA INHIBITORS) MERCK PATENT GMBH (DE) 2002-04-18 — — WO disclosed