SCHEMBL29905548

SCHEMBL29905548

O=C(c1cscn1)n1nc(C2CCNC2)cc1NCc1ccc(Cl)s1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 0.62
▸ KLKB1 P03952 4/20 0.48

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
SCHEMBL29905280 0.93 F2 (0.57) F2KLKB1
SCHEMBL20473837 0.92 F2 (0.64) F2KLKB1
SCHEMBL29905488 0.88 F2 (0.55) F2KLKB1
SCHEMBL29905184 0.85 F2 (0.69) F2KLKB1
SCHEMBL18039777 0.84 F2 (0.50) F2KLKB1
SCHEMBL18039789 0.83 F2 (0.51) F2KLKB1
SCHEMBL18039776 0.82 F2 (0.90) F2KLKB1
SCHEMBL18039826 0.82 F2 (0.50) F2KLKB1
SCHEMBL20473867 0.82 F2 (0.50) F2KLKB1
SCHEMBL18040006 0.82 F2 (0.50) F2KLKB1

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-3261639-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INT CORPORATION (US) 2022-08-24 — — EP claimed
EP-3261639-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INT CORPORATION (US) 2022-08-24 — — EP disclosed
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