SCHEMBL8370570

SCHEMBL8370570

C=C(C)C(=O)OCCCCCCN(C)c1ccc(N=Nc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.58
POLB P06746 2/20 0.58
APEX1 P27695 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NPC1 O15118 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP14 P50281 1/20 0.42
TSHR P16473 3/20 0.41
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
TRPA1 O75762 1/20 0.38
TP53 P04637 1/20 0.35
PLA2G4B P0C869 1/20 0.34
RARB P10826 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL8370567 1.00 HTT (0.58) HTTPOLBAPEX1TDP1NPC1
SCHEMBL9551567 0.85 MMP14 (0.41) HTTPOLBAPEX1TDP1NPC1
SCHEMBL9551568 0.85 MMP14 (0.41) HTTPOLBAPEX1TDP1NPC1
SCHEMBL9317012 0.84 MMP14 (0.41) HTTPOLBAPEX1TDP1NPC1
SCHEMBL9317009 0.84 MMP14 (0.41) HTTPOLBAPEX1TDP1NPC1
SCHEMBL9551060 0.84 MMP14 (0.61) HTTPOLBAPEX1TDP1NPC1
SCHEMBL9436600 0.84 MMP14 (0.61) HTTPOLBAPEX1TDP1NPC1
SCHEMBL8748245 0.84 MMP14 (0.61) HTTPOLBAPEX1TDP1NPC1
SCHEMBL28456770 0.82 HTT (0.85) HTTPOLBAPEX1TDP1TSHR
SCHEMBL8365990 0.82 TDP1 (0.52) HTTPOLBAPEX1TDP1TSHR

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
JP-11322690-A None JP disclosed
JP-H11322690-A NEW DIVINYL COMPOUND AND ITS PRODUCTION AGENCY OF IND SCIENCE & TECHNOL 1999-11-24 JP disclosed