SCHEMBL7675

SCHEMBL7675

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

nearest known ligand 0.46

Predicted protein targets (top 13)

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
VNN1 O95497 1/20 0.39
NAMPT P43490 1/20 0.37
HDAC2 Q92769 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
TNF P01375 1/20 0.36
MAP2K1 Q02750 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 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
SCHEMBL7673 1.00 FASN (0.44) FASNKDM1AKCNH2USP30PAX8
SCHEMBL6060 0.92 FASN (0.44) FASNKDM1AKCNH2USP30PAX8
SCHEMBL6062 0.92 FASN (0.44) FASNKDM1AKCNH2USP30PAX8
SCHEMBL5915 0.84 KMT2A (0.44) FASNKDM1AKCNH2USP30PAX8
SCHEMBL5913 0.84 KMT2A (0.44) FASNKDM1AKCNH2USP30PAX8
SCHEMBL4030 0.84 HDAC2 (0.48) FASNHDAC2
SCHEMBL11908825 0.84 USP30 (0.39) FASNKDM1AUSP30HDAC2IDO1
SCHEMBL4032 0.84 HDAC2 (0.48) FASNHDAC2
SCHEMBL6635 0.82 KMT2A (0.52) FASNKDM1AKCNH2USP30VNN1
SCHEMBL6637 0.82 KMT2A (0.52) FASNKDM1AKCNH2USP30VNN1

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