SCHEMBL19364057

SCHEMBL19364057

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

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 9/20 0.54

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
SCHEMBL19364093 0.90 MPO (0.55) MPO
SCHEMBL22433068 0.78 MPO (0.56) MPO
SCHEMBL19363796 0.77 MPO (0.54) MPO
SCHEMBL19364094 0.77 MPO (0.56) MPO
SCHEMBL19358448 0.76 MPO (0.57) MPO
SCHEMBL19363913 0.69 MPO (0.78) MPO
SCHEMBL19363868 0.67 KDM4A (0.35) —
SCHEMBL19363870 0.64 SLC6A2 (0.39) —
SCHEMBL22433098 0.64 MPO (0.56) MPO
SCHEMBL19363910 0.62 MPO (0.74) MPO

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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