SCHEMBL7607992

SCHEMBL7607992

C(#Cc1ccccc1)C(=C(C#Cc1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.52
VCP P55072 1/20 0.47
NPSR1 Q6W5P4 4/20 0.47
HSP90AA1 P07900 4/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MITF O75030 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRK1 P41145 2/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
AGTR1 P30556 1/20 0.41
PAX8 Q06710 1/20 0.41
TLR9 Q9NR96 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL7607990 1.00 APP (0.52) APPVCPNPSR1HSP90AA1MAPT
SCHEMBL21318344 0.87 APP (0.44) APPVCPNPSR1HSP90AA1MAPT
SCHEMBL6680904 0.81 APP (0.48) APPVCPNPSR1HSP90AA1MAPT
SCHEMBL9658068 0.80 APP (0.52) APPVCPNPSR1HSP90AA1MAPT
SCHEMBL978641 0.76 VCP (0.75) APPVCPNPSR1HSP90AA1MAPT
SCHEMBL21318342 0.76 VCP (0.41) APPVCPNPSR1HSP90AA1MAPT
SCHEMBL6462185 0.76 APP (0.61) APPVCPNPSR1HSP90AA1MAPT
SCHEMBL21318332 0.75 VCP (0.60) APPVCPNPSR1HSP90AA1MAPT
SCHEMBL21318326 0.75 MEN1 (0.43) APPVCPNPSR1HSP90AA1MAPT
SCHEMBL21318355 0.75 VCP (0.51) VCPNPSR1MAPTALDH1A1MEN1

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
JP-2002121158-A AGENT FOR DISCRIMINATE TRUTH FROM FALSEHOOD KYOWA GIKEN KK 2002-04-23 JP disclosed