SCHEMBL19418151

SCHEMBL19418151

Nc1ccc(NC2CCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
EPHX1 P07099 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 6/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
MERTK Q12866 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
APAF1 O14727 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLK4 O00444 2/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL23584516 0.95 MAPT (0.53) GAAEPHX1RAB9AMAPTPOLB
SCHEMBL1413349 0.93 GAA (0.56) GAAEPHX1RAB9AMAPTPOLB
SCHEMBL30882289 0.93 GAA (0.56) GAAEPHX1RAB9AMAPTPOLB
SCHEMBL2931808 0.91 GAA (0.46) GAAEPHX1RAB9AMAPTPOLB
SCHEMBL28127425 0.91 POLB (0.47) GAAEPHX1RAB9AMAPTPOLB
Hydrochloric Acid SCHEMBL5447331 0.90 GAA (0.45) GAAEPHX1RAB9AMAPTPOLB
4-Aminophenol SCHEMBL2890947 0.85 GAA (0.53) GAAEPHX1RAB9AMAPTPOLB
SCHEMBL11526739 0.83 MAPT (0.63) GAARAB9AMAPTPOLBLMNA
SCHEMBL20684088 0.83 POLB (0.42) GAAEPHX1RAB9AMAPTPOLB
SCHEMBL21174667 0.82 MAPT (0.60) GAAEPHX1RAB9AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP disclosed