SCHEMBL28036772

SCHEMBL28036772

C[C](C)c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.56
HTR2A P28223 2/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 2/20 0.41
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
MAPK10 P53779 1/20 0.38
TLR8 Q9NR97 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RHEB Q15382 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
SCHEMBL29741809 0.88 AR (0.54) ARMAOAMAOBMAPK10TLR8
SCHEMBL14645660 0.88 AR (0.54) ARMAOAMAOBMAPK10TLR8
SCHEMBL29741807 0.88 AR (0.54) ARHTR2ASLC6A4KCNH2MAOA
SCHEMBL29093106 0.84 AR (0.56) ARTLR8FLT1FLT4KDR
SCHEMBL28661823 0.83 AR (0.55) ARHTR2ASLC6A4KCNH2MAPK10
SCHEMBL28665319 0.82 AR (0.51) ARHTR2ASLC6A4KCNH2MAPK10
SCHEMBL14645574 0.81 AR (0.50) ARHTR2ASLC6A4KCNH2MAPK10
SCHEMBL28039336 0.81 AR (0.50) ARHTR2ASLC6A4KCNH2MAOA
SCHEMBL28522584 0.81 AR (0.50) ARHTR2ASLC6A4KCNH2MAPK10
SCHEMBL22439725 0.81 AR (0.52) ARMAPK10TLR8FLT1FLT4

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
CN-105050406-A Composition comprising triazole compound BASF SE 2015-11-11 CN disclosed