SCHEMBL2016798

SCHEMBL2016798

CCn1c(CN)nc2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
RAD52 P43351 1/20 0.44
PTGER4 P35408 1/20 0.42
KMT2A Q03164 3/20 0.40
PPARG P37231 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 2/20 0.39
PKM P14618 1/20 0.39
NLRP3 Q96P20 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HDAC1 Q13547 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL2016383 0.88 PPARG (0.40) KMT2APPARGMEN1PKMGAA
SCHEMBL3054151 0.84 PPARG (0.42) KDM4ERAD52PTGER4KMT2APPARG
SCHEMBL2014360 0.84 PPARG (0.45) KDM4ERAD52PTGER4KMT2APPARG
SCHEMBL9931328 0.82 KDM4E (0.49) KDM4EKMT2APPARGHTTCYP1A2
SCHEMBL14250115 0.82 MEN1 (0.54) PTGER4KMT2ATDP1MEN1PKM
SCHEMBL14369083 0.79 KDM4E (0.64) KDM4ERAD52PTGER4KMT2ATDP1
SCHEMBL8292031 0.77 CYP1A2 (0.64) KDM4EKMT2AMEN1PKMGAA
SCHEMBL10176981 0.77 JAK2 (0.52) PPARGHDAC6HTTHDAC1MAPT
SCHEMBL13497694 0.76 AAK1 (0.49) KDM4ERAD52PTGER4KMT2ATDP1
SCHEMBL4979115 0.76 KMT2A (0.57) KMT2ATDP1MEN1PKMCYP1A2

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