SCHEMBL4725302

SCHEMBL4725302

CN(C)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)cn2c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 18/20 0.64
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
KMT2A Q03164 1/20 0.63
RELA Q04206 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL4781491 0.80 NPC1 (0.50) APPNPC1RAB9AMEN1ALDH1A1
SCHEMBL4778210 0.79 ALDH1A1 (0.49) APPNPC1RAB9AMEN1ALDH1A1
SCHEMBL4726932 0.79 RAB9A (0.64) APPNPC1RAB9AMEN1ALDH1A1
SCHEMBL4727745 0.78 RAB9A (0.68) APPNPC1RAB9AMEN1ALDH1A1
SCHEMBL12692455 0.78 RAB9A (0.97) APPNPC1RAB9AMEN1ALDH1A1
SCHEMBL14076014 0.75 APP (1.00) APPNPC1RAB9AMEN1ALDH1A1
SCHEMBL4781097 0.75 APP (0.64) APPNPC1RAB9AMEN1ALDH1A1
SCHEMBL1691405 0.74 SMN1; SMN2 (0.70) NPC1RAB9AMEN1ALDH1A1LMNA
SCHEMBL4727599 0.74 ALDH1A1 (0.67) NPC1RAB9AMEN1ALDH1A1LMNA
SCHEMBL4842127 0.74 ALDH1A1 (0.57) NPC1RAB9AMEN1ALDH1A1LMNA

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-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed