SCHEMBL7979149

SCHEMBL7979149

O=C(CN(CC1CCCCC1)C(=O)C(=O)C1CNc2cc(F)ccc21)NC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7969240 0.94 ALDH1A1 (0.36) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7980536 0.88 PTGDR2 (0.35) NPC1RAB9ASMN1; SMN2HDAC1HDAC6
SCHEMBL7951886 0.86 MITF (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7946743 0.86 MITF (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7982833 0.85 PKM (0.33) NPC1RAB9AKMT2A
SCHEMBL7947062 0.85 MITF (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7979470 0.84 MAPK1 (0.36) NPC1RAB9AALDH1A1NPSR1
SCHEMBL7982224 0.83 RAB9A (0.34) RAB9AMEN1KMT2AALDH1A1NPSR1
SCHEMBL7969219 0.83 KMT2A (0.34) MEN1KMT2A
SCHEMBL7998793 0.81 MITF (0.41) NPC1RAB9AMEN1KMT2AALDH1A1

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