SCHEMBL7969240

SCHEMBL7969240

O=C(CN(CC1CCCCC1)C(=O)C(=O)C1CNc2cc(F)ccc21)NC1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
CNR2 P34972 2/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.33
IDH1 O75874 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7979149 0.94 NPC1 (0.39) ALDH1A1MEN1KMT2ANPSR1NPC1
SCHEMBL7993224 0.88 MEN1 (0.42) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL7980536 0.84 PTGDR2 (0.35) NPC1RAB9AHDAC1HDAC6SMN1; SMN2
SCHEMBL7982833 0.81 PKM (0.33) KMT2ANPC1RAB9A
SCHEMBL7946743 0.81 MITF (0.45) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL7951886 0.81 MITF (0.45) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL7947062 0.81 MITF (0.43) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL7979470 0.81 MAPK1 (0.36) ALDH1A1NPSR1NPC1RAB9A
SCHEMBL7982224 0.80 RAB9A (0.34) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL7969219 0.79 KMT2A (0.34) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed