SCHEMBL6411277

SCHEMBL6411277

CCOC(=O)c1cc(OCCCCOc2ccc(N=Nc3cccc(C#N)c3)cc2)cc(C(=O)OCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
MAPT P10636 3/20 0.43
ELANE P08246 1/20 0.43
PPARA Q07869 3/20 0.42
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
MCL1 Q07820 1/20 0.41
GRM5 P41594 1/20 0.41
PPARD Q03181 2/20 0.41
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6316002 0.90 PPARD (0.47) TDP1L3MBTL1HRH2HRH1MAPT
SCHEMBL6320506 0.90 PPARD (0.47) TDP1L3MBTL1HRH2HRH1MAPT
SCHEMBL6413184 0.89 TDP1 (0.58) TDP1L3MBTL1HRH2HRH1MAPT
SCHEMBL6410828 0.84 HRH2 (0.62) TDP1L3MBTL1HRH2HRH1ELANE
SCHEMBL2998258 0.84 L3MBTL1 (0.50) TDP1L3MBTL1MAPTPPARARAB9A
SCHEMBL3971125 0.84 L3MBTL1 (0.50) TDP1L3MBTL1MAPTPPARARAB9A
SCHEMBL2993045 0.79 HRH2 (0.56) TDP1L3MBTL1HRH2HRH1MAPT
SCHEMBL13900185 0.78 L3MBTL1 (0.45) TDP1L3MBTL1MAPTPPARARAB9A
SCHEMBL1505251 0.77 GSK3B (0.55) TDP1L3MBTL1ELANERAB9ASMN1; SMN2
SCHEMBL13869939 0.76 MAPT (0.47) TDP1L3MBTL1HRH2HRH1MAPT

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
US-20050208387-A1 Optical recording material, optical recording medium and optical recording/reproducing apparatus FUJI XEROX CO., LTD. (JP) 2005-09-22 US disclosed