SCHEMBL5282555

SCHEMBL5282555

Cc1ccc(C2(CC(=O)OCc3ccccc3)N=NN=N2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NPY1R P25929 1/20 0.39
MAOB P27338 1/20 0.39
ADORA2A P29274 1/20 0.39
RECQL P46063 1/20 0.39
NPY2R P49146 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
SCHEMBL5282389 0.90 ALDH1A1 (0.53) LMNAALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL5284001 0.87 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1MAPTSMN1; SMN2
SCHEMBL29169367 0.73 L3MBTL1 (0.79) LMNAALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL9880917 0.73 L3MBTL1 (0.79) LMNAALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL5287640 0.73 POLB (0.41) LMNAALDH1A1MAPK1KDM4EKMT2A
SCHEMBL13748438 0.73 NPC1 (0.62) LMNAALDH1A1L3MBTL1MAPK1KMT2A
Toluene SCHEMBL27497137 0.71 ALDH1A1 (0.59) LMNAALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL21235487 0.71 ALDH1A1 (0.60) LMNAALDH1A1L3MBTL1MAPK1KDM4E
E1501 SCHEMBL28313206 0.71 ALDH1A1 (0.85) LMNAALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL6647983 0.71 ALDH1A1 (0.60) LMNAALDH1A1L3MBTL1MAPK1KDM4E

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-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed