SCHEMBL8330323

SCHEMBL8330323

CCOc1cccc(Nc2c(C(=O)O)c(CC)nc3nc(C)c(OCC)cc23)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.42
GRM5 P41594 13/20 0.36
ADORA1 P30542 1/20 0.35
PDE10A Q9Y233 1/20 0.34
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 0.83 MAPT (0.38) ADORA1PDE10AMAPTRAB9A
SCHEMBL8329797 0.83 MAPK8 (0.44) MAPK8GRM5PKMSMN1; SMN2
SCHEMBL8328465 0.80 PTGS2 (0.40) PDE10AMAPT
SCHEMBL8329796 0.78 THRB (0.46) MAPK8TP53MAPTSMN1; SMN2
SCHEMBL8325619 0.77 THRB (0.31)
SCHEMBL8328091 0.77 SYK (0.38) MAPK8NPC1LMNATP53MAPT
Hydrochloric Acid SCHEMBL8325645 0.77 THRB (0.45) MAPK8TP53MAPTPKMSMN1; SMN2
SCHEMBL8327617 0.72 GRM5 (0.45) MAPK8GRM5TP53
Hydrochloric Acid SCHEMBL8326798 0.72 GRM5 (0.44) MAPK8GRM5TP53
SCHEMBL8329054 0.70 MAPT (0.42) MAPK8ADORA1MAPTRAB9A

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