SCHEMBL7016796

SCHEMBL7016796

NCCCCn1cnc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
CPB2 Q96IY4 2/20 0.36
EGFR P00533 2/20 0.36
CPB1 P15086 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 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
SCHEMBL4412173 0.95 L3MBTL1 (0.46) L3MBTL1ALDH1A1PKMTAAR1CPB2
SCHEMBL31303986 0.88 L3MBTL1 (0.48) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL14696607 0.84 L3MBTL1 (0.53) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL27972864 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1PKMTAAR1EGFR
Trifluoroacetic Acid SCHEMBL29174401 0.83 L3MBTL1 (0.43) L3MBTL1ALDH1A1PKMTAAR1CPB2
SCHEMBL28281549 0.83 L3MBTL1 (0.47) L3MBTL1ALDH1A1PKMTAAR1EGFR
SCHEMBL28281482 0.83 L3MBTL1 (0.47) L3MBTL1ALDH1A1PKMTAAR1EGFR
SCHEMBL9730065 0.83 L3MBTL1 (0.44) L3MBTL1ALDH1A1PKMTAAR1CPB2
SCHEMBL28813221 0.82 L3MBTL1 (0.46) L3MBTL1ALDH1A1PKMTAAR1EGFR
SCHEMBL19406117 0.82 L3MBTL1 (0.46) L3MBTL1ALDH1A1PKMTAAR1CPB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1026170-B1 Erythromycin derivatives, their preparation and use as medicaments AVENTIS PHARMA SA (FR) 2003-01-15 EP disclosed
US-6313101-B1 ANTIBIOTICS AVENTIS PHARMA S.A. (FR) 2001-11-06 US disclosed
EP-1026170-A1 Erythromycin derivatives, their preparation and use as medicaments HOECHST MARION ROUSSEL (FR) 2000-08-09 EP disclosed