SCHEMBL6461963

SCHEMBL6461963

COc1cccc(CN(Cc2ccc(C)cc2)C(=O)c2cccc(C(N)=O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 6/20 0.57
PARP1 P09874 1/20 0.53
SLC2A4 P14672 2/20 0.53
LPAR1 Q92633 4/20 0.52
LPAR5 Q9H1C0 3/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B2 P37059 2/20 0.50
SLC2A8 Q9NY64 1/20 0.48
TSHR P16473 1/20 0.46

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
SCHEMBL11900347 0.87 KMT2A (0.67) SLC2A1PARP1SLC2A4LPAR1LPAR5
SCHEMBL6467263 0.84 TRPM8 (0.56) SLC2A1PARP1SLC2A4LPAR1LPAR5
SCHEMBL24343532 0.77 SLC2A1 (0.63) SLC2A1SLC2A4LPAR1LPAR5SMN1; SMN2
SCHEMBL5124431 0.76 CTSD (0.56)
SCHEMBL30246316 0.76 HSD17B2 (0.56) SLC2A1PARP1SLC2A4MEN1KMT2A
SCHEMBL7179678 0.76 HSD17B2 (0.56) SLC2A1PARP1SLC2A4MEN1KMT2A
SCHEMBL3031503 0.75 PARP1 (0.54) SLC2A1PARP1SLC2A4HSD17B2
SCHEMBL14015155 0.75 LPAR1 (0.57) SLC2A1LPAR1LPAR5HSD17B2TSHR
SCHEMBL9416561 0.74 TSHR (0.64) SLC2A1SLC2A4LPAR1LPAR5MEN1
SCHEMBL29469525 0.74 TSHR (0.57) SLC2A1SLC2A4LPAR1LPAR5MEN1

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-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed