SCHEMBL6691872

SCHEMBL6691872

ICc1ccccc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.67
DRD2 P14416 3/20 0.67
ABCB1 P08183 4/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
LIPE Q05469 1/20 0.50
MGLL Q99685 1/20 0.49
PTGER1 P34995 1/20 0.49

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
SCHEMBL7616541 0.85 HTR1A (0.73) HTR1ADRD2ABCB1GAAMAPT
SCHEMBL5090893 0.84 HTR1A (0.67) HTR1ADRD2ABCB1GAAMAPT
SCHEMBL7526430 0.82 HTR1A (0.69) HTR1ADRD2ABCB1GAAMAPT
SCHEMBL10601013 0.82 DRD2 (0.69) HTR1ADRD2ABCB1GAAMAPT
SCHEMBL3121966 0.80 HTR1A (0.67) HTR1ADRD2ABCB1GAAMAPT
SCHEMBL339812 0.80 MAPT (0.71) HTR1ADRD2ABCB1GAAMAPT
SCHEMBL547985 0.80 HTR1A (0.67) HTR1ADRD2ABCB1GAAMAPT
SCHEMBL2568609 0.80 HTR1A (0.67) HTR1ADRD2ABCB1GAAMAPT
SCHEMBL3022918 0.80 HTR1A (0.67) HTR1ADRD2ABCB1GAAMAPT
SCHEMBL17197391 0.80 HTR1A (0.79) HTR1ADRD2ABCB1GAAMAPT

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
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 WO disclosed