SCHEMBL8589727

SCHEMBL8589727

N#CC(=NO)c1ccccc1COc1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
NR4A2 P43354 1/20 0.38
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCN9A Q15858 2/20 0.36
PARP10 Q53GL7 2/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
HIF1A Q16665 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL8589725 1.00 MAOB (0.41) MAOBNPC1RAB9ANR4A2MAPT
SCHEMBL8396053 0.88 HIF1A (0.45) MAOBNPC1RAB9ANR4A2MAPT
SCHEMBL8396057 0.88 HIF1A (0.45) MAOBNPC1RAB9ANR4A2MAPT
SCHEMBL8590474 0.86 PARP10 (0.38) MAOBMAPTPARP10PARP15PARP14
SCHEMBL8590472 0.86 PARP10 (0.38) MAOBMAPTPARP10PARP15PARP14
SCHEMBL8594846 0.85 FFAR1 (0.39) MAOBNPC1RAB9ANR4A2MAPT
SCHEMBL8594844 0.85 FFAR1 (0.39) MAOBNPC1RAB9ANR4A2MAPT
SCHEMBL8590697 0.84 NR4A2 (0.42) MAOBNPC1RAB9ANR4A2MRGPRX4
SCHEMBL8590692 0.84 NR4A2 (0.42) MAOBNPC1RAB9ANR4A2MRGPRX4
SCHEMBL8592296 0.84 MAPT (0.42) NPC1RAB9ANR4A2MAPTMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
EP-0658543-B1 PROCESS FOR PRODUCING ALPHA-ALKOXYIMINOPHENYLACETONITRILE DERIVATIVE SHIONOGI & CO (JP) 1998-01-07 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658543-A1 PROCESS FOR PRODUCING $g(a)-ALKOXYIMINOPHENYLACETONITRILE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed