SCHEMBL31266531

SCHEMBL31266531

NCc1cccc(-c2nc(COc3ccccc3CC(=O)O)c3cccn3n2)c1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 18/20 0.80
▸ TPSB2 P20231 6/20 0.61
▸ F11 P03951 6/20 0.61
▸ PLAU P00749 2/20 0.61
▸ KLKB1 P03952 2/20 0.61
▸ PLG P00747 1/20 0.61
▸ F7 P08709 1/20 0.61
▸ PTGER1 P34995 1/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ PTGER3 P43115 1/20 0.42
▸ PTGER2 P43116 1/20 0.42
▸ SUCNR1 Q9BXA5 1/20 0.42

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
SCHEMBL21438222 1.00 CFD (0.80) CFDTPSB2F11PLAUKLKB1
SCHEMBL21439066 0.89 CFD (1.00) CFDTPSB2F11PLAUKLKB1
SCHEMBL21438913 0.84 CFD (0.61) CFDTPSB2F11PLAUKLKB1
SCHEMBL23607742 0.82 CFD (0.67) CFDTPSB2F11PLAUKLKB1
SCHEMBL16397008 0.77 CFD (1.00) CFDTPSB2F11PLAUKLKB1
SCHEMBL31266556 0.77 CFD (0.74) CFDTPSB2F11PLAUKLKB1
SCHEMBL21439660 0.77 CFD (0.74) CFDTPSB2F11PLAUKLKB1
SCHEMBL23218685 0.76 CFD (0.65) CFDTPSB2F11PLAUKLKB1
SCHEMBL23218404 0.76 CFD (0.65) CFDTPSB2F11PLAUKLKB1
SCHEMBL29592669 0.76 CFD (0.65) CFDTPSB2F11PLAUKLKB1

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-3939658-B1 SUBSTITUTED BENZOPYRROLE AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2024-10-02 — — EP disclosed
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