SCHEMBL484062

SCHEMBL484062

NCC(O)CN(C(=O)O)c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
HPGD P15428 4/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
USP30 Q70CQ3 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL18595785 1.00 NPC1 (0.46) NPC1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL28121808 0.90 NPC1 (0.47) NPC1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL28121806 0.90 NPC1 (0.47) NPC1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL15618877 0.90 NPC1 (0.47) NPC1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL15618875 0.90 NPC1 (0.47) NPC1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL483627 0.86 NPC1 (0.43) NPC1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL483637 0.86 NPC1 (0.45) NPC1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL483962 0.85 NPC1 (0.43) NPC1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL483960 0.85 NPC1 (0.43) NPC1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL8425426 0.85 NPC1 (0.50) NPC1HPGDRAB9ASMN1; SMN2TP53

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-2072505-B1 A process for the preparation of oxazolidinone derivatives DIPHARMA FRANCIS SRL (IT) 2012-02-01 EP claimed