SCHEMBL6438

SCHEMBL6438

N#Cc1cccc(NCC2CCN(C(=O)C3CC3)C2)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
FASN P49327 1/20 0.36
PTGER4 P35408 1/20 0.36
ELANE P08246 2/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
F10 P00742 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDM1A O60341 1/20 0.34
RORC P51449 1/20 0.33
KMT2A Q03164 1/20 0.33
VNN1 O95497 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL6436 1.00 ATM (0.37) ATMFASNPTGER4ELANELMNA
SCHEMBL11909767 0.85 PTGER4 (0.45) PTGER4ELANELMNAALDH1A1HTT
SCHEMBL6773 0.85 ALDH1A1 (0.48) PTGER4LMNAALDH1A1HTTF10
SCHEMBL6775 0.85 ALDH1A1 (0.48) PTGER4LMNAALDH1A1HTTF10
SCHEMBL6271 0.84 HTT (0.38) ATMFASNLMNAALDH1A1HTT
SCHEMBL6273 0.84 HTT (0.38) ATMFASNLMNAALDH1A1HTT
SCHEMBL6716 0.84 ATM (0.39) ATMFASNELANEALDH1A1F10
SCHEMBL6714 0.84 ATM (0.39) ATMFASNELANEALDH1A1F10
SCHEMBL6047 0.83 ALDH1A1 (0.42) PTGER4LMNAALDH1A1HTTKMT2A
SCHEMBL6045 0.83 ALDH1A1 (0.42) PTGER4LMNAALDH1A1HTTKMT2A

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