SCHEMBL6263

SCHEMBL6263

Cc1ccc(NCC2CCN(C(=O)C3CC3)C2)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
HCAR3 P49019 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNMA1 Q12791 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 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
SCHEMBL6261 1.00 KAT2B (0.44) KAT2BL3MBTL1MAPTTRPV1ALDH1A1
SCHEMBL6905 0.92 KAT2B (0.43) KAT2BMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6903 0.92 KAT2B (0.43) KAT2BMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL11909344 0.89 KAT2B (0.46) KAT2BL3MBTL1MAPTALDH1A1NPC1
SCHEMBL11909340 0.89 KAT2B (0.46) KAT2BL3MBTL1MAPTALDH1A1NPC1
SCHEMBL5906 0.88 NPY5R (0.42) L3MBTL1MAPTHCAR3KCNMA1KMT2A
SCHEMBL5904 0.88 NPY5R (0.42) L3MBTL1MAPTHCAR3KCNMA1KMT2A
SCHEMBL7661 0.87 ALDH1A1 (0.51) MAPTTRPV1ALDH1A1NPC1RAB9A
SCHEMBL7663 0.87 ALDH1A1 (0.51) MAPTTRPV1ALDH1A1NPC1RAB9A
SCHEMBL6635 0.85 KMT2A (0.52) KAT2BMAPTHCAR3RAB9ALMNA

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