SCHEMBL8977917

SCHEMBL8977917

Oc1ccc(Nc2ccc(N3CCOCC3)cc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
KMT2A Q03164 5/20 0.49
TDP1 Q9NUW8 4/20 0.49
MEN1 O00255 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 3/20 0.49
VCP P55072 1/20 0.49
SYK P43405 1/20 0.48
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK10 P53779 2/20 0.47
TP53 P04637 1/20 0.47
MAPK9 P45984 1/20 0.47
HTT P42858 1/20 0.46
TNIK Q9UKE5 1/20 0.46
KDM1A O60341 1/20 0.45
PKMYT1 Q99640 1/20 0.45

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
SCHEMBL10991323 0.86 MAPT (0.51) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL9434473 0.83 PKMYT1 (0.56) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL8977928 0.80 VCP (0.63) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL7980595 0.75 MAPT (0.62) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL2478090 0.73 PRKDC (0.58) MAPTKMT2AMEN1MAPK1VCP
SCHEMBL10988362 0.72 KDM4E (0.48) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL7169368 0.72 CYP3A4 (0.52) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL12285459 0.72 MAPT (0.52) MAPTKMT2ATDP1MEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL27660780 0.71 MAPT (0.51) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL27617962 0.70 GAA (0.60) MAPTKMT2AMEN1SMN1; SMN2KDM4E

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