SCHEMBL21177153

SCHEMBL21177153

O=C(O)NNC(=O)Cc1ccc2ncc(Cl)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 14/20 0.43
MAP4K1 Q92918 8/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.40
FAAH O00519 1/20 0.40
GSK3A P49840 1/20 0.40
MAPK10 P53779 1/20 0.40
RIOK2 Q9BVS4 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL19780343 0.84 KLKB1 (0.47) KLKB1MAP4K1GSK3AMAPK10RIOK2
SCHEMBL19779818 0.84 ALDH1A1 (0.43) KLKB1MAP4K1
SCHEMBL18371612 0.83 CA2 (0.46) KLKB1MAP4K1MEN1KMT2AFAAH
SCHEMBL19780636 0.82 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL19780021 0.80 KLKB1 (0.46) KLKB1MAP4K1FAAH
SCHEMBL19780713 0.79 KLKB1 (0.47) KLKB1MAP4K1RAB9A
SCHEMBL19779931 0.79 KLKB1 (0.44) KLKB1MAP4K1
SCHEMBL21190208 0.78 ALDH1A1 (0.47) KLKB1MAP4K1RAB9A
SCHEMBL21179353 0.77 KLKB1 (0.36) KLKB1MAP4K1MEN1KMT2ARAB9A
SCHEMBL19780026 0.77 KLKB1 (0.48) 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-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO disclosed