SCHEMBL10994169

SCHEMBL10994169

NCCCOc1cccc(CNc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
THRB P10828 2/20 0.58
PKM P14618 2/20 0.58
BLM P54132 2/20 0.58
KMT2A Q03164 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
F2 P00734 1/20 0.55
FFAR1 O14842 7/20 0.52
HIF1A Q16665 1/20 0.50
BCHE P06276 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
CASP6 P55212 1/20 0.47
CACNA1B Q00975 1/20 0.46

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
SCHEMBL11110807 0.86 BCHE (0.46) RAB9AMEN1ALDH1A1MAPTTHRB
SCHEMBL10809172 0.85 BCHE (0.67) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL10065543 0.82 F2 (0.62) RAB9AMEN1ALDH1A1MAPTTHRB
SCHEMBL9871698 0.80 NOS1 (0.50) ALDH1A1KDM4EBCHE
SCHEMBL10997609 0.80 BCHE (0.70) MAPTKDM4EGAABCHE
SCHEMBL499757 0.78 MAOA (0.53) BCHEMAOB
SCHEMBL1134085 0.76 HIF1A (0.76) RAB9AMEN1ALDH1A1MAPTTHRB
SCHEMBL30373777 0.76 HIF1A (0.76) RAB9AMEN1ALDH1A1MAPTTHRB
SCHEMBL8060184 0.76 MAOB (0.62) BCHEMAOB
SCHEMBL9637698 0.75 ALDH1A1 (0.56) ALDH1A1

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
US-4514408-A INHIBITORS OF GASTRIC SECRETION SANOFI (FR) 1985-04-30 US disclosed
EP-0103503-A2 N-substituted amides, their salts, process for their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1984-03-21 EP disclosed
EP-0101380-A2 N-substituted nicotinamide-1-oxide, its salts, process for their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1984-02-22 EP disclosed