SCHEMBL5082052

SCHEMBL5082052

CCOC(=O)C(Br)Cn1cnc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.58
GGPS1 O95749 1/20 0.52
FDPS P14324 1/20 0.52
MAPT P10636 3/20 0.51
POLB P06746 3/20 0.51
LMNA P02545 2/20 0.51
AGER Q15109 4/20 0.49
IDO1 P14902 1/20 0.48
EGLN3 Q9H6Z9 1/20 0.48
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL7404412 0.78 ALDH1A1 (0.65) MAPTLMNAKDM4EKMT2ATDP1
SCHEMBL9080800 0.77 EGLN3 (0.51) APAF1FDPSLMNAEGLN3KDM4E
SCHEMBL4064250 0.76 EGLN3 (0.65) APAF1MAPTLMNAEGLN3KDM4E
SCHEMBL4064248 0.74 APAF1 (0.70) APAF1GGPS1FDPSMAPTPOLB
SCHEMBL27803082 0.74 CYP1A2 (0.51) APAF1MAPTPOLBKDM4ECYP3A4
SCHEMBL5884818 0.74 TDP1 (0.61) MAPTLMNAEGLN3KDM4EKMT2A
SCHEMBL5323231 0.73 APAF1 (0.69) APAF1GGPS1FDPSMAPTPOLB
SCHEMBL22660983 0.73 APAF1 (0.69) APAF1GGPS1FDPSMAPTPOLB
SCHEMBL2446284 0.73 APAF1 (1.00) APAF1GGPS1FDPSMAPTPOLB
SCHEMBL13587954 0.73 MAPT (0.66) APAF1GGPS1FDPSMAPTPOLB

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
EP-1883419-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-02-06 EP disclosed
WO-2006121860-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed