SCHEMBL17447330

SCHEMBL17447330

C=C(O)c1ccnc(Cc2cc(Cl)c3ncc(Cl)cc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.47
▸ MAP4K1 Q92918 19/20 0.47

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
SCHEMBL17442674 0.88 KLKB1 (0.53) KLKB1MAP4K1
SCHEMBL17909760 0.85 KLKB1 (0.50) KLKB1MAP4K1
SCHEMBL17447300 0.82 KLKB1 (0.61) KLKB1MAP4K1
SCHEMBL17442614 0.82 KLKB1 (0.50) KLKB1MAP4K1
SCHEMBL17442772 0.77 KLKB1 (0.51) KLKB1MAP4K1
SCHEMBL18370727 0.77 KLKB1 (0.56) KLKB1MAP4K1
SCHEMBL18369480 0.76 KLKB1 (0.55) KLKB1MAP4K1
SCHEMBL17442618 0.74 KLKB1 (0.51) KLKB1MAP4K1
SCHEMBL17442519 0.74 KLKB1 (0.63) KLKB1MAP4K1
SCHEMBL17909843 0.74 KLKB1 (0.49) 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-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 — — WO disclosed
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