SCHEMBL17447319

SCHEMBL17447319

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.44
▸ MAP4K1 Q92918 18/20 0.44
▸ PARP1 P09874 1/20 0.36
▸ KDM5A P29375 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL17447279 0.93 KLKB1 (0.44) KLKB1MAP4K1PARP1KDM5AKDM5C
SCHEMBL17442645 0.92 KLKB1 (0.47) KLKB1MAP4K1PARP1KDM5AKDM5C
SCHEMBL18371162 0.81 KLKB1 (0.44) KLKB1MAP4K1KDM5CKDM4C
SCHEMBL17442752 0.81 KLKB1 (0.54) KLKB1MAP4K1KDM5AKDM5CKDM4C
SCHEMBL17442578 0.80 KLKB1 (0.56) KLKB1MAP4K1
SCHEMBL23279892 0.80 PARP1 (0.50) KLKB1MAP4K1PARP1KDM5AKDM5C
SCHEMBL17442713 0.80 KLKB1 (0.39) KLKB1MAP4K1KDM5CKDM4CKDM5B
SCHEMBL18371159 0.79 MAPT (0.40) KLKB1MAP4K1
SCHEMBL18370219 0.79 KLKB1 (0.39) KLKB1MAP4K1KDM5AKDM5CKDM4C
SCHEMBL17442535 0.78 KLKB1 (0.59) KLKB1MAP4K1KDM5CKDM4C

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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