SCHEMBL20506477

SCHEMBL20506477

COc1ccccc1C(=O)n1nc(C2CCOCC2)nc1NCc1ccc(Cl)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 15/20 1.00
▸ KLK1 P06870 5/20 0.81
▸ F2 P00734 9/20 0.71
▸ F10 P00742 3/20 0.68
▸ PLG P00747 1/20 0.54
▸ F11 P03951 1/20 0.54
▸ CTRB1 P17538 1/20 0.54
▸ CTRL P40313 1/20 0.54
▸ CTRB2 Q6GPI1 1/20 0.54
▸ CTRC Q99895 1/20 0.54

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
SCHEMBL20506221 0.91 KLKB1 (0.83) KLKB1KLK1F2F10PLG
SCHEMBL14833262 0.90 KLKB1 (1.00) KLKB1KLK1F2F10
SCHEMBL14833813 0.90 KLKB1 (0.84) KLKB1KLK1F2F10PLG
SCHEMBL14833789 0.88 KLKB1 (0.81) KLKB1KLK1F2F10PLG
SCHEMBL20506164 0.87 KLKB1 (1.00) KLKB1KLK1F2F10PLG
SCHEMBL14833324 0.87 KLKB1 (0.81) KLKB1KLK1F2F10PLG
SCHEMBL20506097 0.87 KLKB1 (0.95) KLKB1KLK1F2F10PLG
SCHEMBL14833254 0.86 KLKB1 (0.75) KLKB1KLK1F2F10PLG
SCHEMBL20506340 0.86 KLKB1 (1.00) KLKB1KLK1F2F10PLG
SCHEMBL14833305 0.86 F2 (0.83) KLKB1KLK1F2F10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3421036-B1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON CORP (US) 2020-11-18 — — EP disclosed
EP-3421036-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS Verseon Corporation (US) 2019-01-02 — — EP disclosed
EP-2968297-B1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON CORP (US) 2018-09-26 — — EP disclosed
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