SCHEMBL21748370

SCHEMBL21748370

O=C(c1ccsc1)n1nc(C2CCOCC2)c(F)c1NCc1ccc(Cl)s1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 13/20 0.76
▸ F2 P00734 10/20 0.70
▸ KLK1 P06870 2/20 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
SCHEMBL21748335 0.89 KLKB1 (0.79) KLKB1F2KLK1
SCHEMBL20506168 0.86 KLKB1 (1.00) KLKB1F2KLK1
SCHEMBL21748372 0.85 KLKB1 (0.75) KLKB1F2KLK1
SCHEMBL17525292 0.82 F2 (1.00) KLKB1F2
SCHEMBL21748377 0.81 KLKB1 (0.69) KLKB1F2KLK1
SCHEMBL21748358 0.81 F2 (0.72) KLKB1F2KLK1
SCHEMBL21748366 0.81 F2 (0.75) KLKB1F2KLK1
SCHEMBL29905944 0.81 F2 (0.69) KLKB1F2
SCHEMBL21748338 0.80 F2 (1.00) KLKB1F2KLK1
SCHEMBL20506379 0.80 F2 (1.00) KLKB1F2KLK1

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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