SCHEMBL4955801

SCHEMBL4955801

Nc1ccccc1C(=O)NC1CCN(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.48
ALOX15 P16050 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
EPHX1 P07099 1/20 0.48
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CRBN Q96SW2 1/20 0.47
DRD4 P21917 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL2060435 0.85 CRBN (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
Water SCHEMBL28110279 0.83 CRBN (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL4960760 0.82 NPC1 (0.53) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL22720116 0.82 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL13161898 0.82 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL3959130 0.81 SIGMAR1 (0.73) POLBKMT2AMEN1SIGMAR1L3MBTL1
SCHEMBL8477120 0.81 CNR1 (0.52) POLBKMT2AMEN1ALDH1A1SIGMAR1
SCHEMBL4960694 0.81 POLB (0.58) POLBKMT2AMEN1ALDH1A1NPC1
SCHEMBL2154833 0.80 ALDH1A1 (0.69) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL29229446 0.80 ALDH1A1 (0.69) POLBKMT2AMEN1ALDH1A1SMN1; SMN2

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-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO disclosed