SCHEMBL7100046

SCHEMBL7100046

COc1ccccc1C=CC(=O)c1ccccc1N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.72
MAOB P27338 4/20 0.72
NR1H4 Q96RI1 3/20 0.67
MAPT P10636 3/20 0.64
NPC1 O15118 2/20 0.64
LMNA P02545 2/20 0.64
BCHE P06276 1/20 0.64
RAB9A P51151 1/20 0.64
KDM4E B2RXH2 2/20 0.62
NFE2L2 Q16236 2/20 0.62
HPGD P15428 2/20 0.62
RECQL P46063 2/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.62
HTT P42858 1/20 0.62
KMT2A Q03164 1/20 0.62
TFEB P19484 1/20 0.62
CYP1A1 P04798 2/20 0.59
CYP1B1 Q16678 2/20 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
SCHEMBL7096835 0.89 NFE2L2 (0.63) ARMAOBNR1H4MAPTNPC1
SCHEMBL4535102 0.88 AR (0.80) ARMAOBNR1H4MAPTNPC1
SCHEMBL7098150 0.86 ABCG2 (0.62) ARMAOBNR1H4MAPTNFE2L2
SCHEMBL7097152 0.85 ABCG2 (0.63) ARMAOBNR1H4MAPTLMNA
SCHEMBL7096821 0.85 PDE4A (0.70) MAOBMAPTLMNAKDM4EPOLB
SCHEMBL7098090 0.85 MAPT (0.71) MAPTNPC1LMNARAB9AKDM4E
SCHEMBL7096577 0.85 AR (0.61) ARMAOBNR1H4MAPTNPC1
SCHEMBL5084274 0.84 AR (1.00) ARMAOBNR1H4MAPTNPC1
SCHEMBL5084268 0.84 AR (1.00) ARMAOBNR1H4MAPTNPC1
SCHEMBL30807180 0.84 AR (1.00) ARMAOBNR1H4MAPTNPC1

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