SCHEMBL8977928

SCHEMBL8977928

Oc1ccc(Nc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.63
MAPT P10636 7/20 0.54
TP53 P04637 2/20 0.54
MAPK1 P28482 2/20 0.54
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM1A O60341 1/20 0.51
PRKDC P78527 1/20 0.50
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SYK P43405 1/20 0.48
ATM Q13315 1/20 0.48
EPHX1 P07099 1/20 0.48
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL7980595 0.90 MAPT (0.62) VCPMAPTTP53MAPK1GAA
SCHEMBL2478090 0.88 PRKDC (0.58) VCPMAPTTP53MAPK1PRKDC
SCHEMBL30855000 0.83 KDM1A (0.65) MAPTTP53MAPK1GAASMN1; SMN2
SCHEMBL12285459 0.83 MAPT (0.52) VCPMAPTTP53MAPK1GAA
SCHEMBL10991323 0.82 MAPT (0.51) VCPMAPTTP53MAPK1GAA
SCHEMBL6373750 0.82 VCP (0.56) VCPMAPTTP53MAPK1PRKDC
SCHEMBL9434473 0.80 PKMYT1 (0.56) VCPMAPTTP53MAPK1SMN1; SMN2
SCHEMBL8977917 0.80 MAPT (0.49) VCPMAPTTP53MAPK1GAA
SCHEMBL30854958 0.80 MAPT (0.65) MAPTTP53MAPK1SMN1; SMN2KDM1A
SCHEMBL3080226 0.79 HDAC8 (0.57) MAPTTP53MAPK1GAASMN1; SMN2

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 3 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 disclosed
US-5334505-A For colorimetric determination of hydrolases BOEHRINGER MANNHEIM GMBH (DE) 1994-08-02 US 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