SCHEMBL2196753

SCHEMBL2196753

O=C1c2cc(-c3ccc(Nc4ccc(Cl)cc4)cc3)ccc2CN1C1(C(=O)O)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
NTRK1 P04629 1/20 0.38
MET P08581 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38
KDR P35968 1/20 0.38
MAP2K2 P36507 1/20 0.38
FLT3 P36888 1/20 0.38
GSK3B P49841 1/20 0.38
MAP2K1 Q02750 1/20 0.38
MST1R Q04912 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
CAMK1D Q8IU85 1/20 0.38
DGAT1 O75907 5/20 0.38
TDP2 O95551 1/20 0.38
CNR1 P21554 5/20 0.37
MAP4K4 O95819 2/20 0.35
GPR142 Q7Z601 1/20 0.34
SLC2A1 P11166 1/20 0.34

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
SCHEMBL2202230 0.98 JAK2 (0.38) JAK2NTRK1METFGFR1PRKACA
SCHEMBL2198725 0.96 JAK2 (0.40) JAK2NTRK1METFGFR1PRKACA
SCHEMBL2194260 0.89 DGAT1 (0.39) DGAT1XDHSLC22A12TMPRSS2
SCHEMBL2178864 0.89 SLC2A1 (0.46) DGAT1SLC2A1XDHTMPRSS2
SCHEMBL2179898 0.87 SLC2A1 (0.46) DGAT1SLC2A1XDHTMPRSS2
SCHEMBL2199646 0.87 DGAT1 (0.36) JAK2NTRK1METFGFR1PRKACA
SCHEMBL2178666 0.85 SLC2A1 (0.47) DGAT1SLC2A1XDHTMPRSS2
SCHEMBL2197176 0.85 KIF11 (0.38) DGAT1CNR1XDHSLC22A12
SCHEMBL2199151 0.84 MAPK1 (0.38) JAK2NTRK1METFGFR1PRKACA
SCHEMBL2198162 0.82 TDP2 (0.42) KDRDGAT1TDP2GPR142

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO disclosed