SCHEMBL29905897

SCHEMBL29905897

COc1ccccc1C(=O)n1nc(C2CCOCC2)cc1NCc1ccc(Cl)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 11/20 1.00
▸ KLKB1 P03952 12/20 0.75
▸ KLK1 P06870 4/20 0.67
▸ PLG P00747 1/20 0.67
▸ F11 P03951 1/20 0.67
▸ CTRB1 P17538 1/20 0.67
▸ CTRL P40313 1/20 0.67
▸ CTRB2 Q6GPI1 1/20 0.67
▸ CTRC Q99895 1/20 0.67
▸ F10 P00742 2/20 0.56

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
SCHEMBL20506397 1.00 F2 (1.00) F2KLKB1KLK1PLGF11
Hydrochloric Acid SCHEMBL29905515 0.90 F2 (0.98) F2KLKB1KLK1PLGF11
SCHEMBL29905438 0.90 F2 (0.81) F2KLKB1KLK1PLGF11
Hydrochloric Acid SCHEMBL18039729 0.88 F2 (0.83) F2KLKB1KLK1PLGF11
Hydrochloric Acid SCHEMBL29905447 0.88 F2 (0.83) F2KLKB1KLK1PLGF11
SCHEMBL29905331 0.87 F2 (0.78) F2KLKB1KLK1PLGF11
SCHEMBL18039815 0.87 KLKB1 (0.78) F2KLKB1KLK1PLGF11
SCHEMBL29905827 0.87 KLKB1 (0.78) F2KLKB1KLK1PLGF11
SCHEMBL29905130 0.87 F2 (0.76) F2KLKB1KLK1PLGF11
SCHEMBL29905480 0.86 F2 (0.83) F2KLKB1KLK1PLGF11

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
Send feedback