SCHEMBL28030840

SCHEMBL28030840

O=C(O)[C@H](CO)NCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
PTPRA P18433 1/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOA P21397 1/20 0.47

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
SCHEMBL28030272 1.00 SMN1; SMN2 (0.54) SMN1; SMN2LMNAHTTPTPRARAB9A
SCHEMBL6949056 0.86 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTPTPRARAB9A
SCHEMBL6949050 0.86 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTPTPRARAB9A
SCHEMBL7437113 0.85 TSHR (0.59) SMN1; SMN2LMNAPTPRARAB9ANPC1
SCHEMBL27921610 0.85 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTPTPRARAB9A
SCHEMBL27917108 0.85 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTPTPRARAB9A
SCHEMBL8484330 0.84 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTPTPRARAB9A
SCHEMBL4745103 0.80 TLR2 (0.47) SMN1; SMN2LMNAHTTPTPRARAB9A
SCHEMBL31109684 0.80 TLR2 (0.47) SMN1; SMN2LMNAHTTPTPRARAB9A
SCHEMBL28231017 0.80 TLR2 (0.47) SMN1; SMN2LMNAHTTPTPRARAB9A

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
CN-104829635-A Copper complexes of serine N derivatives, preparation method and applications thereof UNIV SHANXI 2015-08-12 CN disclosed