SCHEMBL6574

SCHEMBL6574

O=C(C1CC1)N1CCC(CNc2c([N+](=O)[O-])cccc2C(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TMEM97 Q5BJF2 4/20 0.38
PRKCQ Q04759 1/20 0.38
ENPP2 Q13822 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC2A1 P11166 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2B P41595 1/20 0.36
MAPK14 Q16539 1/20 0.36
SCD O00767 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 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
SCHEMBL6572 1.00 HTT (0.38) HTTL3MBTL1TMEM97PRKCQENPP2
SCHEMBL11909697 0.90 HTT (0.41) HTTTMEM97PRKCQENPP2GAA
SCHEMBL11909699 0.90 HTT (0.41) HTTTMEM97PRKCQENPP2GAA
SCHEMBL5697 0.85 KMT2A (0.41) HTTMEN1KMT2AMAPT
SCHEMBL5695 0.85 KMT2A (0.41) HTTMEN1KMT2AMAPT
SCHEMBL5643 0.84 SCD (0.42) HTTTMEM97PRKCQMAPTTDP1
SCHEMBL5641 0.84 SCD (0.42) HTTTMEM97PRKCQMAPTTDP1
SCHEMBL11074 0.84 RBP4 (0.40) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL11909676 0.82 HTT (0.42) HTTMEN1KMT2AMAPT
SCHEMBL6273 0.82 HTT (0.38) HTTMEN1KMT2AGAAMAPT

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-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed