SCHEMBL19364093

SCHEMBL19364093

COCCN(CCC(c1ccn(Cc2cccc(O)c2)n1)c1cc(N)nc2c1NNN2)C12CCC(c3ccccc3)(CC1)[C@H](O)C2

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 10/20 0.55

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
SCHEMBL19364057 0.90 MPO (0.54) MPO
SCHEMBL19364095 0.88 MPO (0.55) MPO
SCHEMBL19364094 0.87 MPO (0.56) MPO
SCHEMBL22433068 0.77 MPO (0.56) MPO
SCHEMBL19363796 0.76 MPO (0.54) MPO
SCHEMBL19358434 0.76 MPO (0.57) MPO
SCHEMBL19363914 0.72 MPO (0.79) MPO
SCHEMBL19364096 0.71 MPO (0.77) MPO
SCHEMBL19363913 0.70 MPO (0.78) MPO
SCHEMBL22433039 0.67 KDM4A (0.36) —

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-2017160632-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — WO disclosed
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