SCHEMBL24344258

SCHEMBL24344258

COCc1nn(Cc2ccc(C)cc2)cc1C(=O)NCc1nccc(OC)c1F

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.85
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C8 P10632 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57

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
SCHEMBL21145556 0.92 KLKB1 (1.00) KLKB1
SCHEMBL21985907 0.92 KLKB1 (0.87) KLKB1CYP3A4CYP2C8CYP2C9
SCHEMBL31352690 0.90 KLKB1 (0.78) KLKB1CYP3A4CYP2C8CYP2C9
SCHEMBL31352683 0.90 KLKB1 (0.78) KLKB1CYP3A4CYP2C8CYP2C9
Feniralstat SCHEMBL21145564 0.87 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9
Feniralstat SCHEMBL29619265 0.87 KLKB1 (0.98) KLKB1CYP3A4CYP2C8CYP2C9
Feniralstat SCHEMBL23456766 0.87 KLKB1 (0.98) KLKB1CYP3A4CYP2C8CYP2C9
Sebetralstat SCHEMBL17785421 0.87 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9
Sebetralstat SCHEMBL29619273 0.87 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9
Feniralstat SCHEMBL23456765 0.86 KLKB1 (0.84) KLKB1CYP3A4CYP2C8CYP2C9

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
WO-2022079446-A1 TREATMENTS OF ANGIOEDEMA KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-04-21 — — WO disclosed
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