SCHEMBL7714930

SCHEMBL7714930

c1ccc(COc2ccccc2ONc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
SGMS2 Q8NHU3 3/20 0.51
HTR1A P08908 6/20 0.50
ADRA1D P25100 5/20 0.50
ADRA1A P35348 5/20 0.50
ADRA1B P35368 5/20 0.50
DRD2 P14416 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
LIPE Q05469 1/20 0.47
GAA P10253 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL3460086 0.82 ALDH1A1 (0.43) MAPTTDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL339812 0.82 MAPT (0.71) MAPTTDP1L3MBTL1MAPK1HTR1A
SCHEMBL5538708 0.76 MAPT (0.63) MAPTTDP1L3MBTL1MAPK1HTR1A
Formaldehyde SCHEMBL27831678 0.76 MAPT (0.63) MAPTTDP1L3MBTL1MAPK1SGMS2
SCHEMBL22169165 0.73 BRD4 (0.55) MAPTTDP1L3MBTL1MAPK1SGMS2
SCHEMBL28457205 0.72 MAPT (0.59) MAPTTDP1L3MBTL1MAPK1HTR1A
SCHEMBL2093962 0.72 MAPT (0.59) MAPTTDP1L3MBTL1MAPK1HTR1A
SCHEMBL791853 0.72 HTR1A (0.74) MAPTTDP1L3MBTL1MAPK1HTR1A
SCHEMBL30416387 0.72 HTR1A (0.74) MAPTTDP1L3MBTL1MAPK1HTR1A
SCHEMBL27286576 0.72 MAPT (0.59) MAPTTDP1L3MBTL1MAPK1SGMS2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10245336-A None JP disclosed
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001051125-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-07-19 WO disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed
JP-H10245336-A INHIBITOR TO NA/CA-EXCHANGE SYSTEM TAISHO PHARMACEUT CO LTD 1998-09-14 JP disclosed