SCHEMBL4592168

SCHEMBL4592168

COc1cc2[nH]c(C(=O)N(C)C)c(-c3ccccc3)c2cc1OC.COc1cc2[nH]c(C(=O)N3CCOCC3)c(-c3ccccc3)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
LPAR5 Q9H1C0 1/20 0.41
CHRM3 P20309 2/20 0.41
JAK2 O60674 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2C P28335 1/20 0.40
PIN1 Q13526 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 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
SCHEMBL4879508 0.93 MAPT (0.48) MAPTKDM4EHPGDHSD17B10LMNA
Dimethylamine SCHEMBL4592140 0.90 MAPT (0.46) MAPTKDM4EHPGDHSD17B10LMNA
SCHEMBL4885700 0.86 GPR35 (0.49) MAPTKDM4EHPGDHSD17B10HTT
SCHEMBL3950606 0.74 HSD17B10 (0.49) MAPTKDM4EHPGDHSD17B10LMNA
SCHEMBL4592847 0.74 GPR35 (0.65) MAPTKDM4EHPGDHSD17B10HTT
SCHEMBL4592067 0.72 MAP2 (0.61) MAPTKDM4EHPGDHSD17B10HTT
SCHEMBL5161760 0.72 ALDH1A1 (0.60) MAPTKDM4EHPGDHSD17B10LMNA
SCHEMBL3943871 0.71 MAPT (0.67) MAPTKDM4EHPGDHSD17B10LMNA
SCHEMBL4591940 0.71 ALDH1A1 (0.67) MAPTKDM4EHPGDHSD17B10LMNA
SCHEMBL4591789 0.70 KDM4E (0.49) MAPTKDM4EHPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945305-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRANE DISCOVERY S.R.L. (IT) 2008-07-23 EP claimed
WO-2007048847-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES NIKEM RESEARCH S.R.L. (IT) 2007-05-03 WO claimed
EP-1750687-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2007-02-14 EP claimed
WO-2005105213-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2005-11-10 WO claimed