SCHEMBL6062

SCHEMBL6062

N#Cc1ccc(NCC2CCN(C(=O)C3CC3)C2)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.44
KDM1A O60341 5/20 0.42
KCNH2 Q12809 1/20 0.41
USP30 Q70CQ3 1/20 0.41
PAX8 Q06710 2/20 0.40
PTGER4 P35408 1/20 0.39
VNN1 O95497 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
NAMPT P43490 1/20 0.37
TTK P33981 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
TNF P01375 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
SCHEMBL6060 1.00 FASN (0.44) FASNKDM1AKCNH2USP30PAX8
SCHEMBL7673 0.92 FASN (0.44) FASNKDM1AKCNH2USP30PAX8
SCHEMBL7675 0.92 FASN (0.44) FASNKDM1AKCNH2USP30PAX8
SCHEMBL6637 0.84 KMT2A (0.52) FASNKDM1AKCNH2USP30VNN1
SCHEMBL6635 0.84 KMT2A (0.52) FASNKDM1AKCNH2USP30VNN1
SCHEMBL11908275 0.84 PTGER4 (0.46) KDM1AKCNH2USP30PTGER4ALDH1A1
SCHEMBL11953 0.84 NPY5R (0.44) FASNPTGER4GAA
SCHEMBL12076614 0.84 PTGER4 (0.46) KDM1AKCNH2USP30PTGER4ALDH1A1
SCHEMBL5915 0.82 KMT2A (0.44) FASNKDM1AKCNH2USP30PAX8
SCHEMBL5913 0.82 KMT2A (0.44) FASNKDM1AKCNH2USP30PAX8

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