SCHEMBL8325581

SCHEMBL8325581

COc1ccc2ncc(C(=O)O)c(Nc3ccc(O)cc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
APP P05067 1/20 0.43
ACHE P22303 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
EGFR P00533 3/20 0.42
ERBB2 P04626 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
MELK Q14680 3/20 0.41
PDE4B Q07343 1/20 0.40
GAA P10253 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
SCHEMBL8324824 0.91 GAA (0.50) HDAC3APPACHEHDAC1HDAC7
SCHEMBL8326169 0.86 DYRK1A (0.54) MEN1KMT2APDE4BGAASMN1; SMN2
Hydrochloric Acid SCHEMBL8329578 0.85 PAX8 (0.53) MEN1KMT2APDE4BGAASMN1; SMN2
SCHEMBL8329323 0.82 GAA (0.47) MEN1KMT2APDE4BGAASMN1; SMN2
SCHEMBL8329163 0.81 GAA (0.51) POLBKMT2APDE4BGAASMN1; SMN2
SCHEMBL5726874 0.79 TDP1 (0.50) POLBTDP1MEN1USP2PABPC1
SCHEMBL8328001 0.78 MELK (0.47) POLBMEN1USP2PABPC1KMT2A
SCHEMBL8328847 0.77 PDE4B (0.56) TDP1MEN1KMT2APDE4BGAA
SCHEMBL8326172 0.76 HDAC3 (0.43) HDAC3APPACHEHDAC1HDAC7
SCHEMBL8329171 0.76 MAPT (0.45) POLBKMT2AMELKSMN1; SMN2PAX8

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