SCHEMBL8468779

SCHEMBL8468779

C=CCc1cc(N)c([N+](=O)[O-])c(CC=C)c1CC=C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR9 Q9NR96 1/20 0.33
POLB P06746 3/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
CASP6 P55212 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8668081 0.78 ALDH1A1 (0.36) HTTALDH1A1MAPTLMNAPOLB
SCHEMBL19952852 0.78 IMPDH2 (0.41) HTTALDH1A1MAPTPOLBMEN1
SCHEMBL11236385 0.78 ALDH1A1 (0.39) ALDH1A1MAPTNPC1LMNATP53
SCHEMBL5135211 0.75 GABRA1 (0.35) POLBGABRA1GABRB2
SCHEMBL11442960 0.74 POLB (0.44) HTTALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11077537 0.73 MAPT (0.45) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL9244533 0.73 GABRA1 (0.34) POLBGABRA1GABRB2
SCHEMBL7783997 0.72 GABRA1 (0.44) ALDH1A1MAPTHPGDPOLBMEN1
SCHEMBL8598691 0.71 IMPDH2 (0.32) ALDH1A1MAPTPOLBMEN1GAA
SCHEMBL1644916 0.70 CYP3A4 (0.51) HTTALDH1A1MAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852005-A4 COMPETITIVE IMMUNOASSAY DEVICE SMITHKLINE DIAGNOSTICS INC (US) 1999-06-09 EP disclosed
EP-0852005-A1 COMPETITIVE IMMUNOASSAY DEVICE SMITHKLINE DIAGNOSTICS, INC. (US) 1998-07-08 EP disclosed
WO-1996038720-A1 COMPETITIVE IMMUNOASSAY DEVICE SMITHKLINE DIAGNOSTICS, INC. (US) 1996-12-05 WO disclosed