SCHEMBL29905407

SCHEMBL29905407

COc1ccc(C(=O)n2nc(C3CCCN3)cc2NCc2ccc(Cl)s2)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 12/20 0.67
▸ KLKB1 P03952 9/20 0.61
▸ KLK1 P06870 2/20 0.58
▸ PLG P00747 1/20 0.53
▸ F11 P03951 1/20 0.53
▸ CTRB1 P17538 1/20 0.53
▸ CTRL P40313 1/20 0.53
▸ CTRB2 Q6GPI1 1/20 0.53
▸ CTRC Q99895 1/20 0.53

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
SCHEMBL20473820 1.00 F2 (0.67) F2KLKB1KLK1PLGF11
SCHEMBL29905946 0.91 F2 (0.77) F2KLKB1KLK1PLGF11
Hydrochloric Acid SCHEMBL29905263 0.90 F2 (0.76) F2KLKB1KLK1PLGF11
Hydrochloric Acid SCHEMBL18039935 0.90 F2 (0.76) F2KLKB1KLK1PLGF11
SCHEMBL29905468 0.88 F2 (0.82) F2KLKB1KLK1PLGF11
Hydrochloric Acid SCHEMBL18039868 0.87 F2 (0.81) F2KLKB1KLK1PLGF11
SCHEMBL18039902 0.80 F2 (1.00) F2KLKB1F11CTRB1CTRL
SCHEMBL18039839 0.80 F2 (0.62) F2KLKB1KLK1PLGF11
SCHEMBL18040043 0.79 F2 (0.81) F2KLKB1
SCHEMBL29905444 0.79 F2 (0.70) 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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