SCHEMBL4778210

SCHEMBL4778210

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 4/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 2/20 0.45
APP P05067 10/20 0.45
HTT P42858 1/20 0.43
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40

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 0.86 NPC1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL4725302 0.79 APP (0.64) ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL4726842 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL2128024 0.72 RAB9A (0.66) ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL4781097 0.72 APP (0.64) ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL4727600 0.71 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL4842127 0.71 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL4727599 0.71 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL2127619 0.70 RAB9A (0.55) ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL4726932 0.68 RAB9A (0.64) ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1

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