SCHEMBL21177362

SCHEMBL21177362

Cc1nc(Cc2cc(F)c3ncc(Cl)cc3c2)oc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 12/20 0.38
MAP4K1 Q92918 4/20 0.37
PTGDR2 Q9Y5Y4 5/20 0.32
DDR1 Q08345 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL21177781 0.89 KLKB1 (0.36) KLKB1MAP4K1ALDH1A1SMN1; SMN2
SCHEMBL21177545 0.87 KLKB1 (0.34) KLKB1MAP4K1
SCHEMBL21177320 0.87 KLKB1 (0.33) KLKB1MAP4K1PTGDR2
SCHEMBL21177318 0.86 KLKB1 (0.33) KLKB1MAP4K1
SCHEMBL21177623 0.86 KLKB1 (0.33) KLKB1MAP4K1
SCHEMBL21177310 0.86 KLKB1 (0.32) KLKB1MAP4K1
SCHEMBL21177639 0.85 KLKB1 (0.45) KLKB1MAP4K1ALDH1A1LMNATSHR
SCHEMBL21177319 0.85 KLKB1 (0.32) KLKB1MAP4K1
SCHEMBL21177567 0.84 KLKB1 (0.35) KLKB1MAP4K1
SCHEMBL21177282 0.80 KLKB1 (0.55) 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