SCHEMBL19380953

SCHEMBL19380953

Nc1cc(C(CCC(CCO)Cc2ccccc2)c2ccccc2)c2nn[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 20/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ TPO P07202 3/20 0.41
▸ EPX P11678 2/20 0.35

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
SCHEMBL19380957 0.88 MPO (0.46) MPOCYP3A4TPOEPX
SCHEMBL22406387 0.88 MPO (0.46) MPOCYP3A4TPOEPX
SCHEMBL22406622 0.86 MPO (0.48) MPOCYP3A4TPOEPX
SCHEMBL19381017 0.86 MPO (0.50) MPOCYP3A4TPOEPX
SCHEMBL19359393 0.85 MPO (0.62) MPOCYP3A4TPOEPX
SCHEMBL22406452 0.82 MPO (0.55) MPOCYP3A4TPOEPX
SCHEMBL19359546 0.82 MPO (0.53) MPOCYP3A4TPOEPX
SCHEMBL22406605 0.81 MPO (0.50) MPOCYP3A4TPOEPX
SCHEMBL19359534 0.81 MPO (0.65) MPOCYP3A4TPOEPX
SCHEMBL19359573 0.80 MPO (0.53) MPOCYP3A4TPOEPX

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-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — WO disclosed
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