SCHEMBL8327229

SCHEMBL8327229

CCc1ccc2nc(CC)c(C(=O)O)c(Nc3ccc(OC)cc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 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
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
DHFR P00374 2/20 0.38
ATM Q13315 1/20 0.38
P2RX3 P56373 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
PIK3CA P42336 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8329541 0.89 HDAC1 (0.43) KMT2AKDM1APOLBRAD52GFER
SCHEMBL8328970 0.86 PDE4B (0.40) KMT2AKDM1APOLBRAD52GFER
SCHEMBL8326172 0.80 HDAC3 (0.43) KMT2APOLBPHLPP2MEN1GAA
SCHEMBL8327227 0.74 PDE4B (0.56) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL8324460 0.74 HRH3 (0.41) KMT2APOLBRAD52MAPTNPSR1
SCHEMBL8328444 0.73 MAPT (0.42) KMT2APOLBRAD52MEN1MAPT
SCHEMBL8331716 0.73 MAPT (0.37) KMT2APOLBRAD52ALDH1A1MEN1
SCHEMBL8324676 0.73 P2RX3 (0.41) KMT2APOLBRAD52MAPTP2RX3
SCHEMBL3782292 0.68 HDAC1 (0.41) KMT2APOLBALDH1A1PHLPP2MEN1
SCHEMBL2511107 0.67 KDM4E (0.49) KMT2APOLBALDH1A1MEN1MAPT

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