SCHEMBL29905827

SCHEMBL29905827

COc1ccccc1C(=O)n1nc(C2CCCO2)cc1NCc1ccc(Cl)s1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 13/20 0.78
▸ F2 P00734 10/20 0.77
▸ KLK1 P06870 3/20 0.68
▸ PLG P00747 1/20 0.68
▸ F11 P03951 1/20 0.68
▸ CTRB1 P17538 1/20 0.68
▸ CTRL P40313 1/20 0.68
▸ CTRB2 Q6GPI1 1/20 0.68
▸ CTRC Q99895 1/20 0.68
▸ F10 P00742 2/20 0.55

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
SCHEMBL18039815 1.00 KLKB1 (0.78) KLKB1F2KLK1PLGF11
SCHEMBL20506150 0.88 KLKB1 (1.00) KLKB1F2KLK1PLGF11
SCHEMBL20506397 0.87 F2 (1.00) KLKB1F2KLK1PLGF11
SCHEMBL29905897 0.87 F2 (1.00) KLKB1F2KLK1PLGF11
SCHEMBL18040048 0.85 KLKB1 (0.73) KLKB1F2KLK1PLGF11
SCHEMBL29905946 0.85 F2 (0.77) KLKB1F2KLK1PLGF11
SCHEMBL29905438 0.85 F2 (0.81) KLKB1F2KLK1PLGF11
Hydrochloric Acid SCHEMBL29905263 0.84 F2 (0.76) KLKB1F2KLK1PLGF11
Hydrochloric Acid SCHEMBL18039935 0.84 F2 (0.76) KLKB1F2KLK1PLGF11
SCHEMBL20506097 0.84 KLKB1 (0.95) KLKB1F2KLK1PLGF11

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 1 patent. 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 disclosed
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