SCHEMBL10120317

SCHEMBL10120317

Cc1cncc(Cl)c1N1CCN(C(=O)CNc2c(-c3ccc4c(c3)OCCN4C)nc3cnccn23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 14/20 0.43
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
GRM5 P41594 1/20 0.40
ALOX15 P16050 1/20 0.40
BRD4 O60885 2/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX12 P18054 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 9/20 0.37
TDP1 Q9NUW8 4/20 0.37
HTT P42858 2/20 0.36

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
SCHEMBL10120302 0.96 GAA (0.43) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL15179323 0.88 GRM5 (0.42) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10120627 0.83 GAA (0.45) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10120102 0.83 GAA (0.44) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10120303 0.81 GAA (0.45) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10120195 0.79 KDM4E (0.46) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL15179381 0.79 GAA (0.45) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10120304 0.79 KDM4E (0.45) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL15179285 0.78 GAA (0.46) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14963797 0.78 GAA (0.57) GAAKDM4EALDH1A1HPGDHSD17B10

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-2012018662-A2 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS SCHERING CORPORATION (US) 2012-02-09 WO disclosed