SCHEMBL21346887

SCHEMBL21346887

COc1ccccc1Nc1ccnc2cc(Cl)ccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.77
THRB P10828 1/20 0.77
GAK O14976 4/20 0.67
SRC P12931 2/20 0.62
MAPT P10636 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NR4A2 P43354 2/20 0.56
NPC1 O15118 1/20 0.55
KDR P35968 3/20 0.55
MAPK1 P28482 3/20 0.54
KDM4E B2RXH2 2/20 0.54
RIPK2 O43353 2/20 0.54
COQ8A Q8NI60 2/20 0.54
NLK Q9UBE8 2/20 0.54
GAA P10253 1/20 0.53
ATM Q13315 1/20 0.53
CYP1A2 P05177 2/20 0.52

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
SCHEMBL21121126 0.85 GAK (0.65) POLBTHRBGAKSRCMAPT
SCHEMBL19283173 0.83 GAK (0.66) POLBTHRBGAKMAPTMEN1
SCHEMBL30307397 0.83 GAK (0.66) POLBTHRBGAKMAPTMEN1
SCHEMBL21121619 0.82 POLB (0.67) POLBTHRBGAKMAPTMEN1
SCHEMBL26087302 0.82 SRC (0.62) POLBTHRBGAKSRCMAPT
Hydrochloric Acid SCHEMBL22029285 0.81 POLB (0.65) POLBTHRBGAKMAPTMEN1
SCHEMBL7501815 0.81 CYP1A2 (0.62) POLBTHRBGAKNR4A2KDM4E
SCHEMBL21121575 0.81 GAK (0.77) POLBTHRBGAKSRCMAPT
SCHEMBL19633693 0.80 GAK (0.65) POLBTHRBGAKMAPTKMT2A
SCHEMBL11834679 0.79 GAK (0.57) POLBTHRBGAKSRCMAPT

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
WO-2019173482-A1 4-AMINOQUINOLINE COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS Sanford Burnham Prebys Medical Discovery Institute (US) 2019-09-12 WO disclosed