SCHEMBL14950775

SCHEMBL14950775

COc1ccc(C2CC(=O)C3=C(C2)Nc2ccccc2NC3c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
GAA P10253 3/20 0.56
MEN1 O00255 6/20 0.54
HTT P42858 1/20 0.51
ALDH1A1 P00352 5/20 0.48
NPSR1 Q6W5P4 3/20 0.47
GLA P06280 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.43

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
SCHEMBL14950868 0.86 MAPT (0.56) MAPTGAAMEN1HTTALDH1A1
SCHEMBL12542435 0.83 MAPT (0.54) MAPTGAAMEN1HTTALDH1A1
SCHEMBL14950962 0.83 MAPT (0.54) MAPTGAAMEN1HTTALDH1A1
SCHEMBL14950765 0.83 MAPT (0.54) MAPTGAAMEN1HTTALDH1A1
SCHEMBL14940049 0.83 MAPT (0.54) MAPTGAAMEN1HTTALDH1A1
SCHEMBL12541273 0.83 MAPT (0.60) MAPTGAAMEN1HTTALDH1A1
SCHEMBL12541351 0.82 ALDH1A1 (0.58) MAPTGAAMEN1HTTALDH1A1
SCHEMBL14950797 0.82 MAPT (0.55) MAPTGAAMEN1HTTALDH1A1
SCHEMBL12540128 0.82 MAPT (0.54) MAPTGAAMEN1HTTALDH1A1
SCHEMBL12541017 0.81 GAA (0.66) MAPTGAAMEN1HTTALDH1A1

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