SCHEMBL21748363

SCHEMBL21748363

O=C(c1cccc2c1OCCO2)n1nc(C2CCOCC2)c(F)c1NCc1ccc(Cl)s1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 11/20 0.71
▸ KLKB1 P03952 12/20 0.66
▸ KLK1 P06870 4/20 0.47

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
SCHEMBL21748321 0.92 F2 (0.71) F2KLKB1KLK1
SCHEMBL21748353 0.86 F2 (0.55) F2KLKB1KLK1
SCHEMBL21748335 0.83 KLKB1 (0.79) F2KLKB1KLK1
SCHEMBL21748338 0.83 F2 (1.00) F2KLKB1KLK1
SCHEMBL14833318 0.83 KLKB1 (0.71) F2KLKB1KLK1
SCHEMBL21748369 0.83 F2 (0.59) F2KLKB1KLK1
SCHEMBL21748370 0.79 KLKB1 (0.76) F2KLKB1KLK1
SCHEMBL20506168 0.79 KLKB1 (1.00) F2KLKB1KLK1
SCHEMBL14833645 0.79 KLKB1 (0.66) F2KLKB1KLK1
SCHEMBL21748366 0.79 F2 (0.75) 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 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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