SCHEMBL27848629

SCHEMBL27848629

CCOC(=O)COc1ccc(-n2nc3ccc(Br)cc3n2)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
GAA P10253 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 4/20 0.46
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NTSR1 P30989 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL27749975 0.88 HPGD (0.56) KDM4EGAAHSD17B10HPGDPDE3B
SCHEMBL27729573 0.87 KDM4E (0.49) KDM4EGAAHSD17B10HPGDPDE3B
SCHEMBL28959410 0.78 CA12 (0.47) HSD17B10HPGDMAPTALDH1A1SMN1; SMN2
SCHEMBL30350771 0.74 GAA (0.55) KDM4EGAAHSD17B10HPGDPDE3B
SCHEMBL12611682 0.74 GAA (0.55) KDM4EGAAHSD17B10HPGDPDE3B
SCHEMBL28965153 0.73 NPC1 (0.50) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL2801293 0.73 NPC1 (0.37) KDM4EGAAHPGDMAPTALDH1A1
SCHEMBL28959400 0.73 STS (0.44) MAPTNPSR1TDP1TP53
SCHEMBL28959406 0.73 NPC1 (0.46) KDM4EGAAHPGDMAPTALDH1A1
SCHEMBL29510512 0.72 KDM4E (0.52) KDM4EGAAMAPTALDH1A1SMN1; 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
CN-102432597-A Benzotriazole light stabilizer containing hindered amine group DALIAN RES AND DESIGN INST OF CHEMICAL INDUSTRY 2012-05-02 CN disclosed
CN-102391252-A Novel benzotriazole light stabilizer containing hindered amine group DALIAN RES AND DESIGN INST OF CHEMICAL INDUSTRY 2012-03-28 CN disclosed