SCHEMBL6395

SCHEMBL6395

N#Cc1cccc(N)c1NCC1CCN(C(=O)C2CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
FASN P49327 3/20 0.38
KDM1A O60341 2/20 0.36
HPGD P15428 4/20 0.36
TSHR P16473 1/20 0.36
ELANE P08246 1/20 0.35
KCNH2 Q12809 1/20 0.35
F10 P00742 2/20 0.35
PAX8 Q06710 2/20 0.35
VNN1 O95497 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL6393 1.00 ATM (0.39) ATMFASNKDM1AHPGDTSHR
SCHEMBL6716 0.85 ATM (0.39) ATMFASNKDM1AELANEKCNH2
SCHEMBL6714 0.85 ATM (0.39) ATMFASNKDM1AELANEKCNH2
SCHEMBL6271 0.84 HTT (0.38) ATMFASNKDM1AHPGDTSHR
SCHEMBL6273 0.84 HTT (0.38) ATMFASNKDM1AHPGDTSHR
SCHEMBL11908969 0.84 HPGD (0.39) FASNHPGDTSHRF10
SCHEMBL11074 0.81 RBP4 (0.40) FASNHPGDTSHR
SCHEMBL11909167 0.80 JAK1 (0.39) FASNHPGDTSHR
SCHEMBL10298 0.78 F10 (0.41) FASNKDM1AF10
SCHEMBL6436 0.78 ATM (0.37) ATMFASNKDM1AELANEF10

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