SCHEMBL7824397

SCHEMBL7824397

Oc1ccc(Nc2cnn3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 7/20 0.47
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
GAA P10253 4/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KLF5 Q13887 1/20 0.41
RIPK2 O43353 1/20 0.41
LCK P06239 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 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
SCHEMBL7824075 0.80 EPHB3 (0.44) EPHB3NPC1RAB9AGAAMAPT
SCHEMBL7824773 0.80 EPHB3 (0.50) EPHB3NPC1RAB9AGAAMAPT
SCHEMBL7824798 0.79 GAA (0.49) EPHB3DRD2DRD3NPC1RAB9A
SCHEMBL18879064 0.73 EPHB3 (0.50) EPHB3DRD3NPC1RAB9AGAA
SCHEMBL30009953 0.71 EPHB3 (0.63) EPHB3NPC1RAB9AGAAMAPT
SCHEMBL21436533 0.71 EPHB3 (0.63) EPHB3NPC1RAB9AGAAMAPT
SCHEMBL19349374 0.71 EPHB3 (0.43) EPHB3NPC1RAB9ARIPK2LCK
SCHEMBL7815495 0.71 PRKD3 (0.40) NPC1RAB9AGAAMAPTALDH1A1
SCHEMBL6744058 0.71 EPHB3 (0.52) EPHB3NPC1RAB9AGAAMAPT
SCHEMBL7822994 0.71 GAA (0.37) GAAMAPTALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525480-A USED FOR DETERMINATION OF HYDROLASES; COLORIMETRIC ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1996-06-11 US claimed
EP-0433855-B1 N- and O-substituted aminophenol derivatives, intermediates for their preparation, their use as hydrolase substrates, a corresponding assay and diagnostic agents ROCHE DIAGNOSTICS GMBH (DE) 2001-03-07 EP disclosed
US-5525480-A USED FOR DETERMINATION OF HYDROLASES; COLORIMETRIC ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1996-06-11 US disclosed
EP-0433853-B1 Use of 1-aryl semicarbazides for stabilisation of enzyme substrates, corresponding procedure and diagnostic means containing such stabiliser BOEHRINGER MANNHEIM GMBH (DE) 1995-08-16 EP disclosed
US-5391482-A Method and diagnostic agent for enzyme substrate stabilization using 1-arylsemicarbazides BOEHRINGER MANNHEIM GMBH (DE) 1995-02-21 US disclosed
US-5334505-A For colorimetric determination of hydrolases BOEHRINGER MANNHEIM GMBH (DE) 1994-08-02 US disclosed
EP-0433853-A1 Use of 1-aryl semicarbazides for stabilisation of enzyme substrates, corresponding procedure and diagnostic means containing such stabiliser Roche Diagnostics GmbH (DE) 1991-06-26 EP disclosed
EP-0433855-A2 N- and O-substituted aminophenol derivatives, intermediates for their preparation, their use as hydrolase substrates, a corresponding assay and diagnostic agents Roche Diagnostics GmbH (DE) 1991-06-26 EP disclosed