SCHEMBL14950765

SCHEMBL14950765

CCN(CC)c1ccc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccc(OC)cc2)C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
GAA P10253 4/20 0.54
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 5/20 0.49
NPSR1 Q6W5P4 3/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.48
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
GLA P06280 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.41

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
SCHEMBL34462371 0.91 HTT (0.58) MAPTGAAMEN1ALDH1A1NPSR1
SCHEMBL4889774 0.91 HTT (0.58) MAPTGAAMEN1ALDH1A1NPSR1
SCHEMBL14950840 0.91 NPC1 (0.55) MAPTGAAMEN1ALDH1A1NPSR1
SCHEMBL14950839 0.89 LMNA (0.53) MAPTGAAMEN1ALDH1A1NPSR1
SCHEMBL14940546 0.89 HTT (0.51) MAPTGAAMEN1ALDH1A1NPSR1
SCHEMBL14950795 0.89 GAA (0.53) MAPTGAAMEN1ALDH1A1NPSR1
SCHEMBL14950930 0.89 GAA (0.49) MAPTGAAMEN1ALDH1A1NPSR1
SCHEMBL14950952 0.88 HTT (0.50) MAPTGAAMEN1ALDH1A1NPSR1
SCHEMBL14950955 0.88 MAPT (0.53) MAPTGAAMEN1ALDH1A1NPSR1
SCHEMBL14940468 0.88 MAPT (0.71) MAPTGAAMEN1ALDH1A1NPSR1

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-2013068592-A1 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2013-05-16 WO disclosed