SCHEMBL21748329

SCHEMBL21748329

COc1ccc(C(=O)n2nc(NCc3ccc(Cl)s3)c(F)c2C2CCOCC2)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 13/20 0.71
▸ KLK1 P06870 1/20 0.71
▸ F2 P00734 8/20 0.61

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
SCHEMBL21748376 0.90 F2 (0.75) KLKB1KLK1F2
SCHEMBL21748327 0.86 F2 (0.81) KLKB1KLK1F2
SCHEMBL14833262 0.83 KLKB1 (1.00) KLKB1KLK1F2
SCHEMBL21748359 0.80 KLKB1 (0.57) KLKB1KLK1F2
SCHEMBL14833235 0.80 KLKB1 (0.91) KLKB1KLK1F2
SCHEMBL21748353 0.78 F2 (0.55) KLKB1KLK1F2
SCHEMBL21748360 0.78 F2 (0.82) KLKB1KLK1F2
SCHEMBL21748338 0.76 F2 (1.00) KLKB1KLK1F2
SCHEMBL29905468 0.75 F2 (0.82) KLKB1KLK1F2
SCHEMBL21748344 0.75 F2 (0.60) KLKB1KLK1F2

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-2970141-B1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON CORP (US) 2020-02-26 — — EP claimed
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