SCHEMBL21748347

SCHEMBL21748347

COCC(C)(C)C(=O)n1nc(-c2ccccc2)c(F)c1NCc1ccc(Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 11/20 0.57
▸ KLKB1 P03952 13/20 0.53
▸ KLK1 P06870 3/20 0.49
▸ F10 P00742 1/20 0.45

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
SCHEMBL21748367 0.93 KLKB1 (0.50) F2KLKB1KLK1F10
SCHEMBL20506155 0.90 F2 (0.64) F2KLKB1KLK1F10
SCHEMBL21748330 0.89 F2 (0.52) F2KLKB1KLK1F10
SCHEMBL16068814 0.89 F2 (0.62) F2KLKB1KLK1
SCHEMBL21748324 0.88 F2 (0.54) F2KLKB1KLK1F10
SCHEMBL21748356 0.80 F2 (0.69) F2KLKB1KLK1F10
SCHEMBL21748336 0.79 F2 (0.83) F2KLKB1KLK1
SCHEMBL21748345 0.79 F2 (0.83) F2KLKB1
SCHEMBL21748368 0.78 KLKB1 (0.52) F2KLKB1KLK1F10
SCHEMBL20506142 0.76 KLKB1 (0.65) F2KLKB1KLK1F10

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 2 patents. 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
EP-2970141-B1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON CORP (US) 2020-02-26 — — EP disclosed
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