SCHEMBL21748360

SCHEMBL21748360

COc1ccc(C(=O)n2nc(C3CCNCC3)c(F)c2NCc2ccc(Cl)s2)c(OC)c1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 10/20 0.82
▸ KLKB1 P03952 13/20 0.66
▸ KLK1 P06870 1/20 0.59

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
SCHEMBL21748327 0.92 F2 (0.81) F2KLKB1KLK1
SCHEMBL21748375 0.90 F2 (1.00) F2KLKB1KLK1
SCHEMBL29905468 0.84 F2 (0.82) F2KLKB1KLK1
Hydrochloric Acid SCHEMBL18039868 0.83 F2 (0.81) F2KLKB1KLK1
SCHEMBL21748338 0.81 F2 (1.00) F2KLKB1KLK1
SCHEMBL21748344 0.80 F2 (0.60) F2KLKB1KLK1
SCHEMBL21748323 0.80 F2 (0.84) F2KLKB1KLK1
SCHEMBL20506460 0.80 F2 (1.00) F2KLKB1
SCHEMBL21748373 0.79 F2 (0.71) F2KLKB1KLK1
SCHEMBL21748345 0.79 F2 (0.83) F2KLKB1

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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