SCHEMBL6637

SCHEMBL6637

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
KAT2B Q92831 1/20 0.46
FASN P49327 1/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
KDM1A O60341 4/20 0.40
USP30 Q70CQ3 1/20 0.39
RAB9A P51151 1/20 0.39
HCAR3 P49019 1/20 0.38
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 1/20 0.37
VCAM1 P19320 1/20 0.37
VNN1 O95497 1/20 0.36
MERTK Q12866 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
SCHEMBL6635 1.00 KMT2A (0.52) KMT2AKAT2BFASNMAPTLMNA
SCHEMBL5913 0.92 KMT2A (0.44) KMT2AKAT2BFASNMAPTLMNA
SCHEMBL5915 0.92 KMT2A (0.44) KMT2AKAT2BFASNMAPTLMNA
SCHEMBL6261 0.85 KAT2B (0.44) KMT2AKAT2BMAPTLMNARAB9A
SCHEMBL6263 0.85 KAT2B (0.44) KMT2AKAT2BMAPTLMNARAB9A
SCHEMBL5906 0.85 NPY5R (0.42) KMT2AFASNMAPTHCAR3MAPK1
SCHEMBL5904 0.85 NPY5R (0.42) KMT2AFASNMAPTHCAR3MAPK1
SCHEMBL6060 0.84 FASN (0.44) FASNKDM1AUSP30KCNH2VNN1
SCHEMBL6062 0.84 FASN (0.44) FASNKDM1AUSP30KCNH2VNN1
SCHEMBL7663 0.82 ALDH1A1 (0.51) KMT2AMAPTLMNARAB9AMAPK1

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