SCHEMBL7103789

SCHEMBL7103789

COc1ccccc1C=CC(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.74
NPC1 O15118 3/20 0.74
LMNA P02545 2/20 0.74
RAB9A P51151 2/20 0.74
BCHE P06276 1/20 0.74
MAOB P27338 4/20 0.72
CYP1A2 P05177 3/20 0.71
CYP2D6 P10635 3/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2C9 P11712 1/20 0.71
HPGD P15428 1/20 0.71
CYP2C19 P33261 1/20 0.71
RECQL P46063 1/20 0.71
GPR55 Q9Y2T6 1/20 0.71
CYP1B1 Q16678 3/20 0.67
CYP1A1 P04798 2/20 0.67
NFE2L2 Q16236 2/20 0.65
KEAP1 Q14145 1/20 0.65
PTPN1 P18031 1/20 0.63
KRAS P01116 1/20 0.62

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
SCHEMBL7097737 0.88 ALOX5 (0.73) MAPTNPC1LMNARAB9ABCHE
SCHEMBL9207320 0.86 MAPT (0.74) MAPTNPC1LMNARAB9ABCHE
SCHEMBL9207333 0.86 MAPT (0.74) MAPTNPC1LMNARAB9ABCHE
SCHEMBL7101969 0.85 NR1H4 (0.70) MAPTNPC1LMNARAB9ABCHE
SCHEMBL1723179 0.85 MAPT (1.00) MAPTNPC1LMNARAB9ABCHE
SCHEMBL1723180 0.85 MAPT (1.00) MAPTNPC1LMNARAB9ABCHE
SCHEMBL8964952 0.84 MAOB (1.00) MAPTNPC1LMNARAB9ABCHE
SCHEMBL8964956 0.84 MAOB (1.00) MAPTNPC1LMNARAB9ABCHE
SCHEMBL29403206 0.84 MAOB (1.00) MAPTNPC1LMNARAB9ABCHE
SCHEMBL7099853 0.83 MAPT (0.78) MAPTNPC1LMNARAB9ABCHE

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
WO-2003097577-A1 CHEMICAL COMPOUND CONSISTING OF A NITROGENOUS CHALCONE DERIVATIVE, METHOD OF PRODUCING ONE SUCH CHEMICAL COMPOUND AND FILTERING AND/OR COSMETIC COMPOSITION CONTAINING SAME SYNTH'E163 (SOCIETE ANONYME) (FR) 2003-11-27 WO claimed
WO-2003097577-A1 CHEMICAL COMPOUND CONSISTING OF A NITROGENOUS CHALCONE DERIVATIVE, METHOD OF PRODUCING ONE SUCH CHEMICAL COMPOUND AND FILTERING AND/OR COSMETIC COMPOSITION CONTAINING SAME SYNTH'E163 (SOCIETE ANONYME) (FR) 2003-11-27 WO disclosed