SCHEMBL29074603

SCHEMBL29074603

Cc1ccccc1N=NNc1ccccc1N=Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
MAPT P10636 5/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ALDH1A1 P00352 1/20 0.39
SIGMAR1 Q99720 4/20 0.38
FTO Q9C0B1 1/20 0.38
CHRM1 P11229 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37

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
SCHEMBL11295615 0.83 TSHR (0.48) TRPA1MAPTNPC1HTTTSHR
SCHEMBL24133230 0.83 SIGMAR1 (0.49) MAPTNPC1HTTTSHRTDP1
SCHEMBL2003785 0.83 SIGMAR1 (0.49) MAPTNPC1HTTTSHRTDP1
SCHEMBL2997137 0.82 TRPA1 (0.60) TRPA1MAPTNPC1HTTTSHR
SCHEMBL11695762 0.82 TRPA1 (0.60) TRPA1MAPTNPC1HTTTSHR
Dimethylamine SCHEMBL11508825 0.75 MAPK1 (0.59) TRPA1MAPTNPC1HTTTSHR
SCHEMBL20658883 0.73 ALDH1A1 (0.50) TRPA1MAPTNPC1HTTTSHR
SCHEMBL11229450 0.73 MAPK1 (0.53) TRPA1MAPTNPC1HTTTSHR
SCHEMBL24594109 0.73 MAPK1 (0.67) TRPA1MAPTNPC1HTTTSHR
SCHEMBL4865789 0.72 TSHR (0.57) TRPA1MAPTNPC1HTTTSHR

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
CN-115403959-B Preparation method of polarity-difference multicolor resin coating stock solution 扬州市祥华新材料科技有限公司 2023-08-18 CN disclosed