Sugi Predict

Sugi Predict / Compounds / SCHEMBL7123535

SCHEMBL7123535

SCHEMBL7123535

N=C(N)c1cccc(N[N]C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.67
▸ PRSS1 P07477 7/20 0.67
▸ PRSS2 P07478 1/20 0.67
▸ PRSS3 P35030 1/20 0.67
▸ F2 P00734 2/20 0.63
▸ KCNH2 Q12809 1/20 0.63

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
SCHEMBL7406525 0.83 F10 (0.77) F10PRSS1PRSS2PRSS3F2
SCHEMBL6995434 0.82 F10 (0.64) F10PRSS1PRSS2PRSS3F2
SCHEMBL6224159 0.82 F10 (0.63) F10PRSS1PRSS2PRSS3F2
SCHEMBL6221737 0.80 F10 (0.63) F10PRSS1PRSS2PRSS3F2
Acetic Acid SCHEMBL7080775 0.80 F10 (0.64) F10PRSS1PRSS2PRSS3F2
SCHEMBL6222817 0.80 F10 (0.60) F10PRSS1PRSS2PRSS3F2
SCHEMBL6752166 0.80 F10 (0.66) F10PRSS1PRSS2PRSS3F2
SCHEMBL7081931 0.79 F10 (0.62) F10PRSS1PRSS2PRSS3F2
SCHEMBL7406411 0.79 F10 (0.66) F10PRSS1PRSS2PRSS3F2
SCHEMBL6224834 0.79 F10 (0.63) F10PRSS1PRSS2PRSS3F2

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-1311476-A1 AZA-AMINO ACID DERIVATIVES (FACTOR X A?-INHIBITORS 15) MERCK PATENT GmbH (DE) 2003-05-21 — — EP disclosed
WO-2002016315-A1 AZA-AMINO ACID DERIVATIVES (FACTOR XA-INHIBITORS 15) MERCK PATENT GMBH (DE) 2002-02-28 — — WO disclosed