SCHEMBL530569

SCHEMBL530569

O=C(NC(F)(F)F)c1ccccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.59
CHRNA4 P43681 5/20 0.59
CHRNB4 P30926 4/20 0.59
CHRNA3 P32297 4/20 0.59
HTT P42858 5/20 0.55
BCAT2 O15382 1/20 0.52
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL13701698 0.82 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL3223294 0.79 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL11495204 0.78 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL975666 0.77 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL30345349 0.76 KDM4E (0.47) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL1826396 0.76 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL8979294 0.76 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL307520 0.76 BCAT2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL30345390 0.76 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL27321433 0.76 KDM4E (0.59) HTTALDH1A1GAATP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP claimed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO claimed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed