SCHEMBL4335531

SCHEMBL4335531

FC(F)(F)c1ccccc1Nc1nc(-c2ccc(C3CC[CH]CC3)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALOX5 P09917 5/20 0.43
CCR4 P51679 3/20 0.43
KDM1A O60341 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRM1 P35372 1/20 0.41
NPY5R Q15761 1/20 0.41
VCP P55072 2/20 0.41
RAB9A P51151 2/20 0.40
LTA4H P09960 1/20 0.39
SCD O00767 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL27769670 0.84 RAB9A (0.46) MEN1KMT2AMAPTNPSR1ALOX5
SCHEMBL4939307 0.83 DGAT1 (0.50) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL14127473 0.81 NPY5R (0.63) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL4340445 0.79 VCP (0.67) MEN1KMT2AMAPTNPSR1ALOX5
SCHEMBL1883090 0.79 MAPT (0.63) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL14127231 0.77 MEN1 (0.64) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL23539804 0.72 MEN1 (0.60) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL30042551 0.72 MEN1 (0.60) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL14127267 0.72 MEN1 (0.61) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL16137404 0.71 NPY5R (0.65) MEN1KMT2AGAAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP claimed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO claimed
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP disclosed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO disclosed