SCHEMBL4971972

SCHEMBL4971972

O=C(Nc1cc([AsH2])ccc1Cl)c1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.58
KCNK3 O14649 2/20 0.56
KCNK9 Q9NPC2 2/20 0.56
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
KCNQ3 O43525 2/20 0.54
KCNQ2 O43526 2/20 0.54
KCNE1 P15382 2/20 0.54
KCNQ1 P51787 2/20 0.54
KCNQ5 Q9NR82 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GRM5 P41594 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
SCHEMBL1307939 0.82 HDAC1 (0.65) KCNMA1KCNK3KCNK9HDAC1HDAC8
SCHEMBL403235 0.82 MEN1 (0.68) KCNMA1KCNK3KCNK9HDAC1HDAC8
SCHEMBL14007286 0.79 KCNMA1 (0.71) KCNMA1KCNK3KCNK9KCNQ3KCNQ2
SCHEMBL399870 0.78 MEN1 (0.68) KCNMA1MEN1KMT2ANPC1RAB9A
SCHEMBL8819672 0.76 MEN1 (0.82) KCNMA1HDAC1HDAC8HDAC6MEN1
SCHEMBL3675463 0.76 KCNK3 (0.84) KCNK3KCNK9KCNQ3KCNQ2KCNE1
SCHEMBL402589 0.76 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
Iodide SCHEMBL30758629 0.75 MEN1 (0.80) KCNMA1HDAC1HDAC8HDAC6MEN1
SCHEMBL3786882 0.74 KCNK3 (0.87) KCNK3KCNK9HDAC1HDAC8HDAC6
SCHEMBL3674558 0.74 KCNK3 (0.71) KCNMA1KCNK3KCNK9KCNQ3KCNQ2

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-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO disclosed