SCHEMBL29905227

SCHEMBL29905227

O=C(c1ccoc1)n1nc(C2CNC2)cc1NCc1ccc(Cl)s1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 11/20 0.64
▸ F2 P00734 10/20 0.64
▸ KLK1 P06870 4/20 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
Trifluoroacetic Acid SCHEMBL18040012 0.94 KLKB1 (0.58) KLKB1F2KLK1
Hydrochloric Acid SCHEMBL18040015 0.90 F2 (0.68) KLKB1F2KLK1
SCHEMBL29905427 0.85 F2 (0.64) KLKB1F2
SCHEMBL29905444 0.84 F2 (0.70) KLKB1F2KLK1
Hydrochloric Acid SCHEMBL18040037 0.84 F2 (0.69) KLKB1F2KLK1
SCHEMBL18040060 0.83 KLKB1 (0.57) KLKB1F2KLK1
SCHEMBL29905316 0.83 KLKB1 (0.63) KLKB1F2KLK1
SCHEMBL18351681 0.82 KLKB1 (0.59) KLKB1F2KLK1
SCHEMBL18040041 0.82 F2 (0.56) KLKB1F2KLK1
SCHEMBL20473866 0.81 F2 (0.83) KLKB1F2

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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