SCHEMBL2018088

SCHEMBL2018088

CCn1c(CO)nc2ccc(C)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.53
TSHR P16473 1/20 0.53
ACSS2 Q9NR19 1/20 0.53
TLR8 Q9NR97 1/20 0.48
HTT P42858 1/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KCNH2 Q12809 1/20 0.44
NLRP3 Q96P20 1/20 0.43
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NTRK1 P04629 3/20 0.41
NTRK2 Q16620 3/20 0.41
PKM P14618 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL2020767 0.83 ACSS2 (0.54) TNFTSHRACSS2HTTMAPT
SCHEMBL2013679 0.83 PPARG (0.45) TNFTSHRACSS2HTTMEN1
SCHEMBL13273918 0.82 ALDH1A1 (0.54) TNFTSHRTLR8RAB9AMEN1
SCHEMBL25466809 0.80 TLR8 (0.48) ACSS2TLR8HTTMAPTGAA
SCHEMBL2020612 0.80 ACSS2 (0.56) ACSS2MAPTRAB9AKMT2ANPC1
SCHEMBL23638515 0.80 RAB9A (0.49) TNFTSHRACSS2TLR8MAPT
SCHEMBL2018097 0.80 HTT (0.59) ACSS2HTTMAPTRAB9AMEN1
SCHEMBL13559769 0.80 KCNH2 (0.70) TNFTSHRHTTMAPTRAB9A
SCHEMBL21803210 0.80 ACSS2 (0.55) TSHRACSS2TLR8HTTMAPT
SCHEMBL2015276 0.79 PPARG (0.49) TNFTSHRACSS2MAPTGAA

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