SCHEMBL8329054

SCHEMBL8329054

CCOc1ccc(Nc2c(C(=O)O)c(CC)nc3nc(OCC)ccc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
ADORA1 P30542 2/20 0.36
PIK3CA P42336 3/20 0.35
MTOR P42345 2/20 0.35
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
PABPC1 P11940 2/20 0.34
USP2 O75604 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
KDM4E B2RXH2 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8327888 0.86 MAPT (0.38) MAPTKMT2AMEN1POLBADORA1
SCHEMBL8328444 0.83 MAPT (0.42) MAPTKMT2AMEN1POLBPIK3CA
SCHEMBL8326516 0.81 MEN1 (0.46) MAPTKMT2AMEN1POLBPIK3CA
SCHEMBL8329045 0.75 MAPT (0.53) MAPTPOLBNPSR1
Hydrochloric Acid SCHEMBL8331150 0.74 MAPT (0.52) MAPTPOLBKDM4ENPSR1
SCHEMBL8327174 0.71 P2RX3 (0.43)
SCHEMBL8328970 0.71 PDE4B (0.40) MAPTKMT2AMEN1POLBPIK3CA
SCHEMBL8328001 0.70 MELK (0.47) MAPTKMT2AMEN1POLBPIK3CA
SCHEMBL8561203 0.70 GAA (0.49) MAPTNPSR1RAB9A
SCHEMBL8330323 0.70 MAPK8 (0.42) MAPTADORA1MAPK8RAB9A

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