SCHEMBL7938626

SCHEMBL7938626

C=C(C)c1ccc(-c2coc(-c3cnn(CC)c3)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
PIM1 P11309 7/20 0.38
LRRK2 Q5S007 1/20 0.36
ATR Q13535 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
ALOX5AP P20292 3/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
ACSS2 Q9NR19 1/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL1002632 0.85 ABL1 (0.41) LMNAMAPTKDM4EALDH1A1PKM
SCHEMBL7938141 0.78 ATR (0.37) LMNAMAPTKDM4EALDH1A1PKM
SCHEMBL15520372 0.77 HDAC1 (0.46) LMNA
SCHEMBL27886508 0.75 KDM4E (0.35) LMNAMAPTKDM4EALDH1A1PKM
SCHEMBL1001007 0.65 ABL1 (0.39) LMNAMAPTKDM4EALDH1A1PKM
SCHEMBL30968972 0.63 CHRNA7 (0.40) LMNAMAPTKDM4EALDH1A1PKM
SCHEMBL12369754 0.61 LRRK2 (0.52) PIM1LRRK2PIK3CDPIK3CAPIK3CB
SCHEMBL17870561 0.60 PIK3CD (0.48) LMNAMAPTKDM4EALDH1A1PKM
SCHEMBL30388104 0.60 LRRK2 (0.55) LRRK2ATRPIK3CDPIK3CAPIK3CB
SCHEMBL12369737 0.60 LRRK2 (0.55) LRRK2ATRPIK3CDPIK3CAPIK3CB

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-2010017079-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2010-02-11 WO disclosed