SCHEMBL29905331

SCHEMBL29905331

COc1ccccc1C(=O)n1nc(C2CCN(C(=O)C(C)(C)C)CC2)cc1NCc1ccc(Cl)s1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 13/20 0.78
▸ KLKB1 P03952 8/20 0.74
▸ PLG P00747 1/20 0.62
▸ F11 P03951 1/20 0.62
▸ KLK1 P06870 1/20 0.62
▸ CTRB1 P17538 1/20 0.62
▸ CTRL P40313 1/20 0.62
▸ CTRB2 Q6GPI1 1/20 0.62
▸ CTRC Q99895 1/20 0.62

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
SCHEMBL29905438 0.92 F2 (0.81) F2KLKB1PLGF11KLK1
SCHEMBL29905896 0.91 F2 (0.75) F2KLKB1PLGF11KLK1
SCHEMBL29905897 0.87 F2 (1.00) F2KLKB1PLGF11KLK1
SCHEMBL20506397 0.87 F2 (1.00) F2KLKB1PLGF11KLK1
SCHEMBL29905130 0.87 F2 (0.76) F2KLKB1PLGF11KLK1
SCHEMBL18040001 0.87 KLKB1 (0.70) F2KLKB1PLGF11KLK1
SCHEMBL29905121 0.86 F2 (0.81) F2KLKB1F11CTRB1CTRL
Hydrochloric Acid SCHEMBL29905515 0.86 F2 (0.98) F2KLKB1PLGF11KLK1
SCHEMBL18039953 0.85 KLKB1 (0.74) F2KLKB1PLGF11KLK1
SCHEMBL20506164 0.85 KLKB1 (1.00) F2KLKB1PLGF11KLK1

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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