SCHEMBL4601453

SCHEMBL4601453

Fc1cc(Nc2nccs2)ccc1-c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.47
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FGFR1 P11362 1/20 0.40
GAA P10253 3/20 0.39
MGAM O43451 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
ALOX12 P18054 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NFKB1 P19838 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14881017 0.80 MEN1 (0.54) PLA2G7NPC1RAB9AMEN1KMT2A
SCHEMBL3529574 0.75 PLA2G7 (0.65) PLA2G7NPC1RAB9AMEN1KMT2A
SCHEMBL27700307 0.72 EGFR (0.56) PLA2G7NPC1RAB9AMEN1KMT2A
SCHEMBL29740133 0.70 GRM4 (0.51) PLA2G7MEN1KMT2AALDH1A1SCN9A
SCHEMBL2981886 0.70 ALDH1A1 (0.61) PLA2G7NPC1RAB9AMEN1KMT2A
SCHEMBL3529772 0.69 PLA2G7 (0.61) PLA2G7NPC1RAB9AMEN1KMT2A
SCHEMBL28474122 0.69 PLA2G7 (0.60) PLA2G7NPC1RAB9AMEN1KMT2A
SCHEMBL8906815 0.68 PLA2G7 (0.59) PLA2G7NPC1RAB9AMEN1KMT2A
SCHEMBL27630368 0.67 PLA2G7 (0.55) PLA2G7NPC1RAB9AMEN1KMT2A
SCHEMBL20529581 0.66 PLA2G7 (0.70) PLA2G7NPC1RAB9AMEN1KMT2A

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-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 WO disclosed