SCHEMBL29905444

SCHEMBL29905444

O=C(c1ccoc1)n1nc(C2CCCN2)cc1NCc1ccc(Cl)s1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 9/20 0.70
▸ KLKB1 P03952 12/20 0.61
▸ KLK1 P06870 4/20 0.59

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
Hydrochloric Acid SCHEMBL18040037 0.99 F2 (0.69) F2KLKB1KLK1
Hydrochloric Acid SCHEMBL18040015 0.85 F2 (0.68) F2KLKB1KLK1
SCHEMBL29905227 0.84 KLKB1 (0.64) F2KLKB1KLK1
SCHEMBL18039902 0.82 F2 (1.00) F2KLKB1
SCHEMBL29905184 0.82 F2 (0.69) F2KLKB1KLK1
SCHEMBL29905946 0.80 F2 (0.77) F2KLKB1KLK1
SCHEMBL20473859 0.80 F2 (0.85) F2KLKB1
Hydrochloric Acid SCHEMBL18039935 0.80 F2 (0.76) F2KLKB1KLK1
Hydrochloric Acid SCHEMBL29905263 0.80 F2 (0.76) F2KLKB1KLK1
SCHEMBL18351681 0.79 KLKB1 (0.59) F2KLKB1KLK1

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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