SCHEMBL7086952

SCHEMBL7086952

NCc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 4/20 0.53
KLK1 P06870 4/20 0.53
KLK6 Q92876 4/20 0.53
KLKB1 P03952 2/20 0.53
ITGB1 P05556 1/20 0.51
ITGA4 P13612 1/20 0.51
PTGS1 P23219 2/20 0.50
IL2 P60568 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
APOB P04114 1/20 0.47
MTTP P55157 1/20 0.47

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
SCHEMBL7079790 0.88 S1PR1 (0.51) ITGB1ITGA4PTGS1IL2NPC1
SCHEMBL6792746 0.87 PTGS1 (0.57) PTGS1IL2NPC1RAB9ALMNA
SCHEMBL6791269 0.86 PTGS1 (0.59) KLKB1PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL7086631 0.85 NPC1 (0.54) PTGS1IL2NPC1RAB9ALMNA
SCHEMBL7133291 0.84 NPC1 (0.56) PTGS1IL2NPC1RAB9ALMNA
SCHEMBL7087379 0.82 RXFP1 (0.57) PTGS1IL2NPC1RAB9ALMNA
SCHEMBL28752149 0.81 PDE2A (0.48) ITGB1ITGA4PTGS1CA12CA1
SCHEMBL7084075 0.81 CA12 (0.43) ITGB1ITGA4PTGS1IL2LMNA
SCHEMBL7083755 0.81 RXFP1 (0.56) PLGKLKB1PTGS1IL2NPC1
SCHEMBL7079806 0.81 NPC1 (0.49) ITGB1ITGA4PTGS1IL2NPC1

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-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed