SCHEMBL14527861

SCHEMBL14527861

Cc1ccc(Nc2nc(N/N=C/c3cc(Br)cc(Br)c3O)nc(N3CCOCC3)n2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 2/20 0.60
▸ TDP1 Q9NUW8 1/20 0.59
▸ MAPT P10636 8/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ NPSR1 Q6W5P4 4/20 0.53
▸ LMNA P02545 3/20 0.49
▸ THRB P10828 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ PIKFYVE Q9Y2I7 1/20 0.46
▸ HTT P42858 3/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL8238479 0.90 MAPT (0.61) DDX3XMAPTKMT2AMEN1NPSR1
SCHEMBL11913671 0.85 DDX3X (0.82) DDX3XTDP1MAPTKMT2AMEN1
SCHEMBL22737346 0.84 DDX3X (0.59) DDX3XTDP1MAPTKMT2AMEN1
SCHEMBL8239323 0.79 MAPT (0.51) DDX3XMAPTKMT2AMEN1NPSR1
SCHEMBL22892510 0.75 MAPT (0.59) DDX3XTDP1MAPTKMT2AMEN1
SCHEMBL8241042 0.73 TDP1 (0.84) TDP1MAPTKMT2AMEN1NPSR1
SCHEMBL22737561 0.73 GBA1 (0.49) DDX3XTDP1MAPTKMT2AMEN1
SCHEMBL22737390 0.72 GBA1 (0.47) TDP1MAPTKMT2AMEN1NPSR1
SCHEMBL8238853 0.72 DDX3X (0.61) DDX3XTDP1MAPTKMT2AMEN1
SCHEMBL29345080 0.71 TDP1 (0.76) TDP1MAPTKMT2AMEN1NPSR1

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
EP-1790345-A1 Triazin beta-secretase inhibitors Esbatech AG (CH) 2007-05-30 — — EP disclosed
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