SCHEMBL4781491

SCHEMBL4781491

CCCC(=O)N(C)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)cn2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
APP P05067 13/20 0.46
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.41
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
NR4A2 P43354 1/20 0.39

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
SCHEMBL4778210 0.86 ALDH1A1 (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2NFKB1
SCHEMBL4725302 0.80 APP (0.64) NPC1ALDH1A1RAB9ASMN1; SMN2NFKB1
SCHEMBL4727600 0.78 ALDH1A1 (0.52) NPC1ALDH1A1RAB9ASMN1; SMN2NFKB1
SCHEMBL4726842 0.73 ALDH1A1 (0.51) NPC1ALDH1A1RAB9ASMN1; SMN2NFKB1
SCHEMBL4727599 0.71 ALDH1A1 (0.67) NPC1ALDH1A1RAB9ASMN1; SMN2NFKB1
SCHEMBL4842127 0.71 ALDH1A1 (0.57) NPC1ALDH1A1RAB9ASMN1; SMN2NFKB1
SCHEMBL2128024 0.71 RAB9A (0.66) NPC1ALDH1A1RAB9ASMN1; SMN2NFKB1
SCHEMBL4781097 0.70 APP (0.64) NPC1ALDH1A1RAB9ASMN1; SMN2NFKB1
SCHEMBL4726932 0.69 RAB9A (0.64) NPC1ALDH1A1RAB9ASMN1; SMN2NFKB1
SCHEMBL4727645 0.69 ALDH1A1 (0.56) NPC1ALDH1A1RAB9ASMN1; SMN2NFKB1

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