SCHEMBL21177641

SCHEMBL21177641

O=C(O)c1nc(Cc2ccc3ncc(Cl)cc3c2)co1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.48
MAP4K1 Q92918 14/20 0.48

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
SCHEMBL21177523 0.81 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL19779795 0.81 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL21177602 0.80 KLKB1 (0.44) KLKB1MAP4K1
SCHEMBL21177769 0.79 KLKB1 (0.38) KLKB1MAP4K1
SCHEMBL19780290 0.79 KLKB1 (0.43) KLKB1MAP4K1
SCHEMBL21028255 0.79 KLKB1 (0.60) KLKB1MAP4K1
SCHEMBL17442598 0.77 KLKB1 (0.67) KLKB1MAP4K1
SCHEMBL18369641 0.77 KLKB1 (0.53) KLKB1MAP4K1
SCHEMBL19779880 0.77 KLKB1 (0.50) KLKB1MAP4K1
SCHEMBL17442508 0.76 KLKB1 (0.57) 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