SCHEMBL5491127

SCHEMBL5491127

COc1ccccc1Nc1nc(-c2ccccc2)c(C(=O)NCc2ccc(C(C)(C)C)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
PTGDR2 Q9Y5Y4 4/20 0.54
DHODH Q02127 3/20 0.52
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CNR2 P34972 1/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL5421225 0.93 GAA (0.49) GAAPTGDR2DHODHMEN1KMT2A
SCHEMBL5367089 0.92 GAA (0.62) GAAPTGDR2DHODHMEN1KMT2A
SCHEMBL5412970 0.90 PTGDR2 (0.62) GAAPTGDR2MEN1KMT2AKDM4E
SCHEMBL5413651 0.89 PTGDR2 (0.63) GAAPTGDR2DHODHMEN1KMT2A
SCHEMBL4927025 0.88 MEN1 (0.61) GAADHODHMEN1KMT2AKDM4E
SCHEMBL5423738 0.85 PTGDR2 (0.54) GAAPTGDR2MEN1KMT2AKDM4E
SCHEMBL14184689 0.82 MAPT (0.66) GAAPTGDR2MEN1KMT2AKDM4E
SCHEMBL4923415 0.80 ALDH1A1 (0.71) GAAPTGDR2MEN1KMT2AKDM4E
SCHEMBL4402426 0.79 GAA (0.69) GAAPTGDR2DHODHMEN1KMT2A
SCHEMBL5360478 0.79 GAA (0.69) GAAPTGDR2DHODHMEN1KMT2A

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
WO-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO claimed