SCHEMBL21186385

SCHEMBL21186385

COc1cc(N)ccc1Oc1ccc(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
SLC6A4 P31645 1/20 0.47
TTR P02766 2/20 0.46
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NR4A1 P22736 1/20 0.41
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL1333574 0.88 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4TTRGAA
SCHEMBL21186018 0.83 PDE7A (0.47) SLC6A2SLC6A3SLC6A4MAPTKDM4E
SCHEMBL6731188 0.82 ALDH1A1 (0.46) SLC6A2SLC6A3SLC6A4TTRGAA
SCHEMBL10813750 0.81 ESRRA (0.53) TTRGAAMAPTKDM4EMEN1
SCHEMBL20155415 0.79 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4TTRGAA
SCHEMBL2249460 0.79 SMN1; SMN2 (0.49) SLC6A2SLC6A3SLC6A4GAAMAPT
SCHEMBL21186209 0.77 PDE7A (0.56) SLC6A2SLC6A3SLC6A4GAAMAPT
SCHEMBL31264488 0.77 PDE7A (0.56) SLC6A2SLC6A3SLC6A4GAAMAPT
SCHEMBL1333707 0.76 CA1 (0.52) SLC6A2SLC6A3SLC6A4TTRMAPT
SCHEMBL21186204 0.76 ALDH1A1 (0.51) SLC6A2SLC6A3SLC6A4GAAMAPT

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed