SCHEMBL21177320

SCHEMBL21177320

O=C(O)c1oc(Cc2cc(F)c3ncc(Cl)cc3c2)nc1CF

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.33
MAP4K1 Q92918 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL21177545 0.92 KLKB1 (0.34) KLKB1MAP4K1
SCHEMBL21177319 0.90 KLKB1 (0.32) KLKB1MAP4K1
SCHEMBL21177362 0.87 KLKB1 (0.38) KLKB1MAP4K1PTGDR2
SCHEMBL21177310 0.84 KLKB1 (0.32) KLKB1MAP4K1
SCHEMBL21177639 0.83 KLKB1 (0.45) KLKB1MAP4K1
SCHEMBL21177623 0.82 KLKB1 (0.33) KLKB1MAP4K1
SCHEMBL21177318 0.82 KLKB1 (0.33) KLKB1MAP4K1
SCHEMBL21177567 0.82 KLKB1 (0.35) KLKB1MAP4K1
SCHEMBL21177143 0.82 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL21177781 0.78 KLKB1 (0.36) KLKB1MAP4K1

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
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO disclosed
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO disclosed