SCHEMBL6273

SCHEMBL6273

N#Cc1cccc([N+](=O)[O-])c1NCC1CCN(C(=O)C2CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ATM Q13315 1/20 0.37
FASN P49327 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
F10 P00742 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM1A O60341 1/20 0.34
LRRK2 Q5S007 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 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
SCHEMBL6271 1.00 HTT (0.38) HTTKMT2AMEN1ATMFASN
SCHEMBL5697 0.85 KMT2A (0.41) HTTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5695 0.85 KMT2A (0.41) HTTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6436 0.84 ATM (0.37) HTTKMT2AATMFASNF10
SCHEMBL6438 0.84 ATM (0.37) HTTKMT2AATMFASNF10
SCHEMBL6393 0.84 ATM (0.39) ATMFASNF10KDM1AHPGD
SCHEMBL6395 0.84 ATM (0.39) ATMFASNF10KDM1AHPGD
SCHEMBL11909676 0.82 HTT (0.42) HTTKMT2AMEN1MGLLALDH1A1
SCHEMBL6574 0.82 HTT (0.38) HTTKMT2AMEN1GAATDP1
SCHEMBL6572 0.82 HTT (0.38) HTTKMT2AMEN1GAATDP1

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