SCHEMBL18585939

SCHEMBL18585939

Nc1cc(Br)c(N=Nc2ccc(Cl)cc2)c(N)n1.Nc1cc(Br)c2nn[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.43
▸ MEN1 O00255 8/20 0.43
▸ KMT2A Q03164 8/20 0.43
▸ MAPK1 P28482 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ RECQL P46063 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ LMNA P02545 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CA12 O43570 3/20 0.31
▸ CA1 P00915 3/20 0.31
▸ CA2 P00918 3/20 0.31

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
SCHEMBL17595117 0.85 MAPT (0.51) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL17595119 0.85 MAPT (0.51) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL17594881 0.77 — —
SCHEMBL18584768 0.76 MEN1 (0.45) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL17595330 0.72 MAPT (0.54) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL17595329 0.72 MAPT (0.54) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL18621539 0.72 TDP1 (0.51) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL18620549 0.66 MAPT (0.51) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL17595861 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28292454 0.65 MAPT (0.47) MAPTMEN1KMT2AMAPK1GAA

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-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO disclosed
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