SCHEMBL2463141

SCHEMBL2463141

COC(=O)c1ccc(N)c(Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SYK P43405 3/20 0.51
CFTR P13569 1/20 0.49
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
GMNN O75496 1/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
UGT1A1 P22309 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
PMP22 Q01453 1/20 0.47

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
SCHEMBL2462190 0.82 MAPK1 (0.67) MAPTMAPK1L3MBTL1SYKLMNA
SCHEMBL18286152 0.81 MAPT (0.59) MAPTMAPK1L3MBTL1LMNAALDH1A1
SCHEMBL14910392 0.77 SYK (0.54) MAPTMAPK1L3MBTL1SYKCFTR
SCHEMBL12336309 0.76 MAPT (0.47) MAPTMAPK1SYKLMNAALDH1A1
SCHEMBL25392363 0.74 LMNA (0.76) MAPTMAPK1L3MBTL1SYKLMNA
SCHEMBL12501138 0.71 MAPK1 (0.59) MAPTMAPK1L3MBTL1SYKLMNA
SCHEMBL2088462 0.71 CFTR (0.53) MAPTCFTRALDH1A1PKMGPR35
SCHEMBL29910288 0.71 CFTR (0.53) MAPTCFTRALDH1A1PKMGPR35
SCHEMBL6799074 0.71 LMNA (0.66) MAPTSYKLMNAPOLBALDH1A1
SCHEMBL9271694 0.70 RXFP1 (0.70) MAPTLMNAALDH1A1CYP1A2CYP2C9

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-2011116176-A1 3-SUBSTITUED IMIDAZO (4, 5-B) PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2011-09-22 WO disclosed