SCHEMBL2198162

SCHEMBL2198162

O=C1c2cc(-c3ccc(Nc4ccc(C(F)(F)F)cc4)cc3)ccc2CN1C1(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.42
DGAT1 O75907 5/20 0.42
KIF11 P52732 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
APP P05067 1/20 0.37
ADAM17 P78536 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
KDR P35968 1/20 0.36
CSF1R P07333 1/20 0.36
APOB P04114 1/20 0.36
GPR142 Q7Z601 1/20 0.35

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
SCHEMBL2180710 0.90 MEN1 (0.48) DGAT1MEN1KMT2ARXFP1
SCHEMBL2181794 0.86 MEN1 (0.47) DGAT1MEN1KMT2ARXFP1APOB
SCHEMBL2198725 0.86 JAK2 (0.40) TDP2DGAT1KDRGPR142
SCHEMBL2197176 0.86 KIF11 (0.38) DGAT1KIF11MEN1KMT2A
SCHEMBL2196753 0.82 JAK2 (0.38) TDP2DGAT1KDRGPR142
SCHEMBL2194260 0.82 DGAT1 (0.39) DGAT1KIF11APPBRD4CREBBP
SCHEMBL2202230 0.82 JAK2 (0.38) TDP2DGAT1BRD4CREBBPKDR
SCHEMBL2180866 0.81 DGAT1 (0.55) DGAT1KIF11MEN1KMT2AKDR
SCHEMBL2280666 0.80 DGAT1 (0.39) TDP2DGAT1KIF11HRH3BRD4
SCHEMBL13719131 0.80 MEN1 (0.46) DGAT1MEN1KMT2ARXFP1

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