SCHEMBL6465152

SCHEMBL6465152

CC(CCNC(=O)O)CC(=O)NCC(O)(CCc1ccccc1)c1nc(C(=O)NCc2ccco2)co1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
ALDH1A1 P00352 7/20 0.39
RAB9A P51151 6/20 0.39
POLB P06746 6/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 4/20 0.38
PKM P14618 2/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
KDM4E B2RXH2 3/20 0.37
THRB P10828 2/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL7042863 0.80 KCNA5 (0.37) MAPTALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7046903 0.80 TBXA2R (0.35) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL7045973 0.79 PSMB5 (0.40) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL7042125 0.79 L3MBTL1 (0.39) ALDH1A1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL7049145 0.79 KCNA5 (0.38) MAPTALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL7185049 0.79 MEN1 (0.35) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL7046404 0.77 MAPT (0.35) MAPTALDH1A1TDP1GAAL3MBTL1
SCHEMBL6466202 0.76 LMNA (0.36) MAPTALDH1A1RAB9APOLBKMT2A
SCHEMBL6467927 0.76 GAA (0.44) MAPTALDH1A1RAB9APOLBKMT2A
SCHEMBL6463781 0.74 SMN1; SMN2 (0.39) MAPTALDH1A1KMT2ASMN1; SMN2MEN1

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed