SCHEMBL3655142

SCHEMBL3655142

CC(Oc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 6/20 0.40
HTR2A P28223 1/20 0.39
ALDH1A1 P00352 2/20 0.38
APP P05067 1/20 0.38
PTGS2 P35354 1/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
IGLV6-57 P01721 1/20 0.37
ATM Q13315 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 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
SCHEMBL3094219 0.80 HSPB1 (0.45) HSPB1MEN1KMT2ANPC1MAPT
SCHEMBL3655145 0.78 HSPB1 (0.52) HSPB1MEN1KMT2ANPC1MAPT
SCHEMBL11110354 0.78 MEN1 (0.44) MEN1KMT2ANPC1MAPTHTT
SCHEMBL28784762 0.77 ACHE (0.45) HSPB1MEN1KMT2ANPC1MAPT
SCHEMBL4341939 0.75 HSPB1 (0.46) HSPB1MEN1KMT2ANPC1MAPT
Methyl Alcohol SCHEMBL27791093 0.75 ACHE (0.42) HSPB1MEN1KMT2ANPC1MAPT
SCHEMBL3104563 0.74 HSPB1 (0.42) HSPB1MEN1KMT2ANPC1MAPT
SCHEMBL3104424 0.74 HSPB1 (0.42) HSPB1MEN1KMT2ANPC1MAPT
SCHEMBL10002058 0.73 ALDH1A1 (0.52) MEN1KMT2ANPC1MAPTHTT
SCHEMBL3104498 0.72 HSPB1 (0.50) HSPB1MEN1KMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205568-A1 6-ARYL/HETEROALKYLOXY BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009087305-A1 6-ARYL/HETEROALKYLOXY BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS SANOFI-AVENTIS (FR) 2009-07-16 WO disclosed