SCHEMBL5697

SCHEMBL5697

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
HTT P42858 4/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
KCNMA1 Q12791 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.37
SCN4A P35499 2/20 0.37

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
SCHEMBL5695 1.00 KMT2A (0.41) KMT2AHTTALDH1A1LMNAMEN1
SCHEMBL11909001 0.89 HTT (0.44) KMT2AHTTALDH1A1LMNAMEN1
SCHEMBL11908997 0.89 HTT (0.44) KMT2AHTTALDH1A1LMNAMEN1
SCHEMBL11909676 0.87 HTT (0.42) KMT2AHTTALDH1A1LMNAMEN1
SCHEMBL6271 0.85 HTT (0.38) KMT2AHTTALDH1A1LMNAMEN1
SCHEMBL6574 0.85 HTT (0.38) KMT2AHTTMEN1MAPT
SCHEMBL6572 0.85 HTT (0.38) KMT2AHTTMEN1MAPT
SCHEMBL6273 0.85 HTT (0.38) KMT2AHTTALDH1A1LMNAMEN1
SCHEMBL6775 0.83 ALDH1A1 (0.48) KMT2AHTTALDH1A1LMNAMEN1
SCHEMBL6773 0.83 ALDH1A1 (0.48) KMT2AHTTALDH1A1LMNAMEN1

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