SCHEMBL2014360

SCHEMBL2014360

CCn1c(CO)nc2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
PTGER4 P35408 1/20 0.42
KDM4E B2RXH2 2/20 0.41
RAD52 P43351 1/20 0.41
GAA P10253 1/20 0.41
HDAC1 Q13547 2/20 0.40
KMT2A Q03164 2/20 0.40
TNF P01375 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 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
SCHEMBL2013679 0.88 PPARG (0.45) PPARGALDH1A1LMNATP53MAPK1
SCHEMBL3054151 0.84 PPARG (0.42) PPARGALDH1A1LMNATP53MAPK1
SCHEMBL2016798 0.84 KDM4E (0.44) PPARGALDH1A1TP53MAPK1HDAC6
SCHEMBL14250115 0.82 MEN1 (0.54) ALDH1A1LMNATP53PTGER4GAA
SCHEMBL6247270 0.81 MAPK1 (0.50) ALDH1A1LMNATP53MAPK1HDAC1
SCHEMBL31569633 0.81 MAPT (0.49) PPARGALDH1A1LMNATP53MAPK1
SCHEMBL12290596 0.80 CNR2 (0.48)
SCHEMBL9979897 0.79 LMNA (0.49) PPARGALDH1A1LMNATP53MAPK1
SCHEMBL14369083 0.79 KDM4E (0.64) LMNAPTGER4KDM4ERAD52GAA
SCHEMBL1972515 0.78 ALDH1A1 (0.40) PPARGALDH1A1LMNATP53MAPK1

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