SCHEMBL7098090

SCHEMBL7098090

COc1ccc(C=CC(=O)c2ccccc2N)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.71
NPC1 O15118 4/20 0.68
RAB9A P51151 3/20 0.68
ALDH1A1 P00352 3/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
MAPK1 P28482 2/20 0.67
CHRNA7 P36544 1/20 0.64
TNFRSF1A P19438 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.60
KDM4E B2RXH2 2/20 0.59
HPGD P15428 2/20 0.59
ABCG2 Q9UNQ0 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
CASP1 P29466 1/20 0.59
BRCA1 P38398 1/20 0.59
RECQL P46063 1/20 0.59
CASP7 P55210 1/20 0.59

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
SCHEMBL7096821 0.90 PDE4A (0.70) MAPTSMN1; SMN2L3MBTL1KDM4EABCG2
SCHEMBL632909 0.86 MAPT (0.81) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL632910 0.86 MAPT (0.81) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7098150 0.85 ABCG2 (0.62) MAPTABCG2
SCHEMBL7100046 0.85 AR (0.72) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL7194477 0.85 MAPT (0.71) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7194478 0.85 MAPT (0.71) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7102181 0.84 ABCG2 (0.63) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2462050 0.84 MAPT (1.00) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2462049 0.84 MAPT (1.00) MAPTNPC1RAB9AALDH1A1SMN1; SMN2

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