SCHEMBL8329541

SCHEMBL8329541

CCc1nc2ccc(OC)nc2c(Nc2ccc(OC)cc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
APP P05067 1/20 0.43
ACHE P22303 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KMT2A Q03164 2/20 0.41
KDM1A O60341 1/20 0.41
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TERT O14746 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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 0.93 PDE4B (0.40) HDAC1HDAC6HDAC3APPACHE
SCHEMBL8326172 0.91 HDAC3 (0.43) HDAC1HDAC6HDAC3APPACHE
SCHEMBL8327229 0.89 KMT2A (0.41) HDAC1HDAC6KMT2AKDM1APOLB
SCHEMBL8330060 0.82 MAPT (0.39) KMT2APOLBRAD52MAPTMEN1
SCHEMBL8328444 0.80 MAPT (0.42) HDAC1HDAC6HDAC3APPACHE
SCHEMBL8324460 0.80 HRH3 (0.41) HDAC6KMT2APOLBRAD52MAPT
SCHEMBL8331716 0.79 MAPT (0.37) KMT2APOLBRAD52ALDH1A1MAPT
SCHEMBL8324676 0.79 P2RX3 (0.41) KMT2APOLBRAD52MAPTP2RX3
SCHEMBL8324824 0.76 GAA (0.50) HDAC1HDAC6HDAC3APPACHE
SCHEMBL8329323 0.73 GAA (0.47) KMT2AALDH1A1MAPTMEN1GAA

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