SCHEMBL27517543

SCHEMBL27517543

Cc1ccc(CN(C(=O)c2ccc(Cl)cc2)c2ccc(F)[c]c2F)cc1.[Ti]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
CNR1 P21554 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDK1 Q15118 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
POLB P06746 2/20 0.36
GAA P10253 1/20 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
SCHEMBL27497665 0.82 POLB (0.47) CNR2CNR1RAB9APDK1MEN1
SCHEMBL27482472 0.79 S1PR1 (0.45) CNR2NPC1L3MBTL1ALDH1A1MAPT
SCHEMBL27517544 0.78 CNR2 (0.44) CNR2CNR1RAB9ANPC1L3MBTL1
SCHEMBL27465870 0.78 S1PR1 (0.46) CNR2RAB9ANPC1ALDH1A1TP53
SCHEMBL27465866 0.77 MLYCD (0.38) RAB9ANPC1L3MBTL1MEN1KMT2A
SCHEMBL27467295 0.74 PDK1 (0.39) RAB9ANPC1PDK1PDK2PDK4
SCHEMBL27483221 0.73 HTR2C (0.39) CES2CES1ALDH1A1MAPK1HTT
SCHEMBL19970891 0.72 PDK1 (0.39) CNR2CNR1RAB9ANPC1L3MBTL1
SCHEMBL30131238 0.70 MMP13 (0.58) CNR2CNR1RAB9ANPC1L3MBTL1
SCHEMBL599345 0.70 CNR2 (0.37) CNR2CNR1RAB9ANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1215379-C Original edition for lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2005-08-17 CN disclosed
CN-1425068-A Fungal transcriptional activator useful in methods of producing polypeptides NOVOZYMES AS (DK) 2003-06-18 CN disclosed
CN-1374559-A Original edition for lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2002-10-16 CN disclosed