SCHEMBL6004749

SCHEMBL6004749

Oc1cc2cccnc2nc1-c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
RIPK1 Q13546 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
APAF1 O14727 1/20 0.36
DAO P14920 1/20 0.36
MAPK14 Q16539 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
DHODH Q02127 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MMP2 P08253 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1692394 0.85 DHODH (0.44) HTTKDM4EALDH1A1HPGDKMT2A
SCHEMBL6004845 0.84 MAPK14 (0.52) KDM4EALDH1A1HPGDRIPK1KMT2A
SCHEMBL6004302 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDRIPK1KMT2A
SCHEMBL3892242 0.84 COMT (0.43) HTTKDM4EALDH1A1HPGDRIPK1
SCHEMBL6004768 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL22824561 0.81 PDE10A (0.42) CYP1A2CYP2C19HTTKDM4EALDH1A1
SCHEMBL6004176 0.81 SLC22A12 (0.41) TRPV1
SCHEMBL6004865 0.78 L3MBTL1 (0.54) CYP1A2KDM4EALDH1A1DAONPC1
SCHEMBL30060806 0.76 KDM4E (0.43) CYP1A2CYP2C19HTTKDM4EALDH1A1
SCHEMBL10112536 0.74 ALDH1A1 (0.61) CYP1A2CYP2C19HTTKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed