SCHEMBL19780643

SCHEMBL19780643

CNCC(=O)Cc1ccc2ncc(Cl)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.46
MAP4K1 Q92918 14/20 0.46

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
SCHEMBL19780021 0.83 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL19780026 0.82 KLKB1 (0.48) KLKB1MAP4K1
SCHEMBL19780349 0.82 KLKB1 (0.43) KLKB1MAP4K1
SCHEMBL21190199 0.82 KLKB1 (0.41) KLKB1MAP4K1
SCHEMBL21190208 0.81 ALDH1A1 (0.47) KLKB1MAP4K1
SCHEMBL19780327 0.81 PTPN1 (0.42) KLKB1MAP4K1
SCHEMBL18371612 0.80 CA2 (0.46) KLKB1MAP4K1
SCHEMBL19780713 0.79 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL19780343 0.78 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL21657336 0.77 KLKB1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 WO disclosed