SCHEMBL2013679

SCHEMBL2013679

CCn1c(CO)nc2ccc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.40
TNF P01375 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.38
ACSS2 Q9NR19 2/20 0.37

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
SCHEMBL2014360 0.88 PPARG (0.45) PPARGLMNAALDH1A1TP53MAPK1
SCHEMBL2016383 0.84 PPARG (0.40) PPARGALDH1A1KMT2AMEN1PKM
SCHEMBL2018088 0.83 TNF (0.53) KDM4ETNFTSHRPOLBKMT2A
SCHEMBL12210796 0.82 ALDH1A1 (0.53) PPARGLMNAALDH1A1TP53MAPK1
SCHEMBL22031586 0.82 GLA (0.49) PPARGKDM4EKMT2AMEN1PKM
SCHEMBL6242878 0.81 MAPK1 (0.50) PPARGLMNAALDH1A1TP53MAPK1
SCHEMBL2020767 0.81 ACSS2 (0.54) LMNATP53KDM4ETNFTSHR
SCHEMBL30698370 0.81 MAPT (0.45) PPARGLMNAALDH1A1TP53MAPK1
SCHEMBL4777935 0.81 MAPT (0.45) PPARGLMNAALDH1A1TP53MAPK1
SCHEMBL12290595 0.80 ALDH1A1 (0.41) PPARGLMNAALDH1A1TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed