SCHEMBL2223882

SCHEMBL2223882

O=[C]NCCNC(=O)CCN1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 4/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
ALPL P05186 1/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4394320 0.82 SMN1; SMN2 (0.39) SMN1; SMN2HPGDHTTALDH1A1POLB
SCHEMBL16330014 0.82 SMN1; SMN2 (0.54) SMN1; SMN2HPGDHTTALDH1A1MEN1
SCHEMBL14934677 0.81 HTT (0.52) SMN1; SMN2HPGDHTTALDH1A1MEN1
SCHEMBL14930710 0.80 SMN1; SMN2 (0.51) SMN1; SMN2HPGDHTTALDH1A1MEN1
SCHEMBL29229819 0.80 SMN1; SMN2 (0.51) SMN1; SMN2HPGDHTTALDH1A1MEN1
SCHEMBL18471568 0.80 SMN1; SMN2 (0.51) SMN1; SMN2HPGDHTTALDH1A1MEN1
SCHEMBL13268072 0.80 SMN1; SMN2 (0.55) SMN1; SMN2HPGDHTTALDH1A1MEN1
SCHEMBL1459059 0.80 SMN1; SMN2 (0.49) SMN1; SMN2HPGDHTTALDH1A1MEN1
SCHEMBL1257325 0.79 SMN1; SMN2 (0.51) SMN1; SMN2HPGDHTTALDH1A1MEN1
SCHEMBL12855219 0.79 HTT (0.54) SMN1; SMN2HPGDHTTALDH1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523975-A1 BACTERIAL HOST STRAIN COMPRISING A MUTANT SPR GENE AND A WILD-TYPE TSP GENE UCB Pharma, S.A. (BE) 2012-11-21 EP disclosed
WO-2011086138-A1 BACTERIAL HOST STRAIN COMPRISING A MUTANT SPR GENE AND A WILD-TYPE TSP GENE UCB PHARMA S.A. (BE) 2011-07-21 WO disclosed