SCHEMBL7802373

SCHEMBL7802373

O=CCCc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.64
GAA P10253 2/20 0.64
HSPB1 P04792 2/20 0.61
MAPT P10636 5/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
RAB9A P51151 3/20 0.46
KCNH2 Q12809 1/20 0.44
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL7807343 0.88 L3MBTL1 (0.68) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL3967877 0.84 GAA (0.67) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL3143134 0.82 GAA (0.64) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL15054764 0.82 GAA (0.64) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL20932230 0.82 HSPB1 (0.82) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL3143148 0.81 L3MBTL1 (0.70) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL842282 0.81 L3MBTL1 (0.70) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL3139649 0.81 GAA (0.70) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL3131685 0.81 L3MBTL1 (0.62) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL3138637 0.80 HSPB1 (0.69) L3MBTL1GAAHSPB1MAPTNPSR1

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-1066261-A1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP disclosed
WO-1999048871-A1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-09-30 WO disclosed