SCHEMBL18619963

SCHEMBL18619963

Nc1cc(OCc2ccccc2OC(F)(F)F)c(NNc2ccc(Cl)cc2)c(N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SGMS1 Q86VZ5 1/20 0.38
▸ SGMS2 Q8NHU3 1/20 0.38
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ MPO P05164 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KCNN3 Q9UGI6 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GRIN2B Q13224 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
SCHEMBL18620992 0.85 MPO (0.50) FNTAFNTBMPOMAPTSMN1; SMN2
SCHEMBL18619967 0.78 MPO (0.42) SGMS1SGMS2MPOALOX5APFEN1
SCHEMBL18585011 0.78 MPO (0.36) SGMS1SGMS2MPOMAPTSMN1; SMN2
SCHEMBL18585009 0.78 MPO (0.36) SGMS1SGMS2MPOMAPTSMN1; SMN2
SCHEMBL18621046 0.74 AGPAT2 (0.41) MAPTPOLBMEN1PKMKMT2A
SCHEMBL18621117 0.72 SCN1A (0.36) MAPTMEN1KMT2A
SCHEMBL18621051 0.72 LNPEP (0.44) SGMS1SGMS2MPOKCNN3ALOX5AP
SCHEMBL18585182 0.70 MPO (0.44) SGMS1SGMS2MPOKCNN3ALOX5AP
SCHEMBL20429918 0.67 MPO (0.49) MPOSMN1; SMN2TP53KCNN3GRIN2B
Trifluoroacetic Acid SCHEMBL18585084 0.66 LNPEP (0.50) ALOX5APFEN1PLK1

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-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO disclosed
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