SCHEMBL6018971

SCHEMBL6018971

C#Cc1ccc2c(c1)OCO2.C#Cc1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ATM Q13315 1/20 0.41
CMA1 P23946 1/20 0.41
MAOB P27338 3/20 0.41
MIF P14174 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
SLC6A4 P31645 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL861172 1.00 CYP3A4 (0.48) CYP3A4ALDH1A1HSD17B10TDP1MAPK1
SCHEMBL31399387 0.82 MAPT (0.53) MAPTGAAPOLBKMT2ASMN1; SMN2
SCHEMBL17365209 0.82 MAPT (0.53) MAPTGAAPOLBKMT2ASMN1; SMN2
SCHEMBL5048104 0.79 ACACB (0.45)
SCHEMBL10745644 0.78 MIF (0.49) CYP3A4ALDH1A1HSD17B10TDP1MAPK1
SCHEMBL30300332 0.78 MAPT (0.51) CYP3A4ALDH1A1HSD17B10TDP1MAPT
SCHEMBL140150 0.78 MAPT (0.51) CYP3A4ALDH1A1HSD17B10TDP1MAPT
SCHEMBL9432285 0.78 CYP3A4 (0.48) CYP3A4ALDH1A1HSD17B10TDP1MAPK1
SCHEMBL97197 0.78 NPC1 (0.48) CYP3A4ALDH1A1HSD17B10TDP1MAPK1
SCHEMBL4656696 0.75 CYP3A4 (0.45) CYP3A4ALDH1A1HSD17B10TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 WO disclosed