SCHEMBL6538201

SCHEMBL6538201

C=Cc1cnc2c([N+](=O)[O-])cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.56
PDE10A Q9Y233 1/20 0.55
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL6538062 0.86 PDE10A (0.57) PDE10AHSP90AA1HSP90AB1MAPTALDH1A1
SCHEMBL27535082 0.80 PDE10A (0.60) PDE10AHSP90AA1HSP90AB1MAPTALDH1A1
SCHEMBL26964296 0.78 PDE10A (0.54) PARP1PDE10AHSP90AA1HSP90AB1MAPT
SCHEMBL29801038 0.76 PDE10A (0.60) PDE10AHSP90AA1HSP90AB1MAPTALDH1A1
SCHEMBL6431603 0.76 PDE10A (0.60) PDE10AHSP90AA1HSP90AB1MAPTALDH1A1
SCHEMBL29253980 0.76 PDE10A (0.60) PDE10AHSP90AA1HSP90AB1MAPTALDH1A1
SCHEMBL7795676 0.76 PDE10A (0.60) PARP1PDE10AHSP90AA1HSP90AB1MAPT
SCHEMBL3713823 0.76 PDE10A (0.60) PDE10AHSP90AA1HSP90AB1MAPTALDH1A1
SCHEMBL8488388 0.76 HSP90AA1 (0.65) PDE10AHSP90AA1HSP90AB1MAPTALDH1A1
SCHEMBL2195087 0.76 PDE10A (0.60) PDE10AHSP90AA1HSP90AB1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed