SCHEMBL8328444

SCHEMBL8328444

CCOc1ccc(Nc2c(C(=O)O)c(CC)nc3ccc(OCC)nc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
POLB P06746 2/20 0.37
MELK Q14680 4/20 0.36
PIK3CA P42336 3/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
MTOR P42345 2/20 0.34
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
PABPC1 P11940 2/20 0.34
USP2 O75604 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8328970 0.88 PDE4B (0.40) MAPTKMT2AMEN1POLBPIK3CA
SCHEMBL8330060 0.85 MAPT (0.39) MAPTKMT2AMEN1POLBFABP3
SCHEMBL8329054 0.83 MAPT (0.42) MAPTKMT2AMEN1POLBPIK3CA
SCHEMBL8324460 0.83 HRH3 (0.41) MAPTKMT2APOLBKDM4EOPRM1
SCHEMBL8324676 0.82 P2RX3 (0.41) MAPTKMT2APOLBKDM4EOPRM1
SCHEMBL8331716 0.82 MAPT (0.37) MAPTKMT2AMEN1POLBRAB9A
SCHEMBL8328001 0.81 MELK (0.47) MAPTKMT2AMEN1POLBMELK
SCHEMBL8326172 0.80 HDAC3 (0.43) KMT2AMEN1POLBPIK3CAMAPK8
SCHEMBL8329541 0.80 HDAC1 (0.43) MAPTKMT2AMEN1POLBPIK3CA
SCHEMBL8327888 0.76 MAPT (0.38) MAPTKMT2AMEN1POLBPIK3CA

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-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP claimed