SCHEMBL9268107

SCHEMBL9268107

Cc1[nH]c(C)c(-c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c(=O)c1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.57
KIF11 P52732 1/20 0.43
CHEK2 O96017 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SCN9A Q15858 1/20 0.40
BRD4 O60885 1/20 0.40
LTA4H P09960 1/20 0.38
TEAD1 P28347 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.37
ESR2 Q92731 1/20 0.37
TTBK1 Q5TCY1 1/20 0.36
EPAS1 Q99814 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
SCHEMBL9260928 0.88 SLC2A1 (0.51) SLC2A1KIF11CHEK2MMP2MMP9
SCHEMBL9261485 0.86 SLC2A1 (0.46) SLC2A1SCN9ANR1H2NR1H3
SCHEMBL4469241 0.86 SLC2A1 (0.51) SLC2A1KIF11CHEK2KDM4EALDH1A1
SCHEMBL9272554 0.83 SLC2A1 (0.56) SLC2A1LMNANPSR1BRD4MMP2
SCHEMBL9266242 0.81 SLC2A1 (0.51) SLC2A1KIF11SCN9AMMP2MMP9
SCHEMBL9263676 0.80 SLC2A1 (0.53) SLC2A1KIF11
SCHEMBL3560834 0.80 SLC2A1 (0.44) SLC2A1KIF11CHEK2KDM4EALDH1A1
SCHEMBL19047179 0.80 BRD4 (0.45) SLC2A1KIF11CHEK2KDM4EALDH1A1
SCHEMBL9268714 0.79 SLC2A1 (0.55) SLC2A1SCN9A
SCHEMBL9264396 0.78 SLC2A1 (0.57) SLC2A1KDM4EBRD4NR1H2NR1H3

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
US-5403934-A Heterocyclic compounds BURROUGHS WELLCOME CO. (US) 1995-04-04 US disclosed