SCHEMBL4340445

SCHEMBL4340445

FC(F)(F)c1cccc(Nc2nc(-c3ccc(C4CC[CH]CC4)cc3)cs2)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.67
MAPT P10636 9/20 0.58
KDM4E B2RXH2 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MAPK1 P28482 3/20 0.57
ALOX5 P09917 4/20 0.55
POLB P06746 1/20 0.52
CFTR P13569 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPY5R Q15761 1/20 0.45

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
SCHEMBL180693 0.83 MAPT (0.60) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL27769454 0.82 MEN1 (0.67) MAPTNPSR1MAPK1ALOX5POLB
SCHEMBL12298071 0.81 VCP (0.80) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL7263150 0.81 VCP (0.80) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL7267313 0.81 VCP (0.80) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL917730 0.80 CFTR (0.63) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL23553570 0.80 VCP (1.00) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL7262430 0.80 VCP (0.78) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL1887941 0.80 VCP (0.78) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL4335531 0.79 MEN1 (0.54) VCPMAPTNPSR1ALOX5MEN1

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