SCHEMBL23279833

SCHEMBL23279833

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.55
▸ MAP4K1 Q92918 19/20 0.55
▸ KDM5A P29375 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41

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
SCHEMBL17442578 0.93 KLKB1 (0.56) KLKB1MAP4K1
SCHEMBL17442535 0.89 KLKB1 (0.59) KLKB1MAP4K1KDM5CKDM4C
SCHEMBL23279735 0.87 KLKB1 (0.48) KLKB1MAP4K1
SCHEMBL17442614 0.85 KLKB1 (0.50) KLKB1MAP4K1
SCHEMBL17442645 0.83 KLKB1 (0.47) KLKB1MAP4K1KDM5AKDM5CKDM4C
SCHEMBL17442513 0.83 KLKB1 (0.49) KLKB1MAP4K1KDM5AKDM5B
SCHEMBL18370685 0.83 KLKB1 (0.53) KLKB1MAP4K1
SCHEMBL18370041 0.82 KLKB1 (0.50) KLKB1MAP4K1
SCHEMBL18370922 0.82 KLKB1 (0.50) KLKB1MAP4K1
SCHEMBL17442803 0.81 KLKB1 (0.47) 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
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 — — EP disclosed
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