SCHEMBL30111366

SCHEMBL30111366

O=C=Nc1ccc(Cl)cc1N=C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
TRPA1 O75762 1/20 0.39
TP53 P04637 2/20 0.33
S100A4 P26447 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL10316536 1.00 TDP1 (0.42) TDP1MAPK1CYP3A4ALDH1A1HPGD
SCHEMBL29862788 0.84 TDP1 (0.45) TDP1MAPK1CYP3A4ALDH1A1HPGD
SCHEMBL29507682 0.84 TDP1 (0.50) TDP1MAPK1CYP3A4ALDH1A1HPGD
SCHEMBL227614 0.84 TDP1 (0.45) TDP1MAPK1CYP3A4ALDH1A1HPGD
SCHEMBL785906 0.84 TDP1 (0.50) TDP1MAPK1CYP3A4ALDH1A1HPGD
SCHEMBL1569005 0.83 TDP1 (0.39) TDP1MAPK1CYP3A4ALDH1A1HPGD
SCHEMBL8943122 0.82 TDP1 (0.44) TDP1MAPK1CYP3A4ALDH1A1HPGD
SCHEMBL23248 0.81 CYP3A4 (0.63) TDP1MAPK1CYP3A4ALDH1A1HPGD
SCHEMBL16104970 0.81 TDP1 (0.38) TDP1MAPK1CYP3A4ALDH1A1HPGD
SCHEMBL701743 0.81 CYP3A4 (0.48) TDP1MAPK1CYP3A4ALDH1A1HPGD

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
CN-116529330-A Adhesive composition and adhesive sheet using same 东友精细化工有限公司 2023-08-01 CN disclosed
CN-115135668-A Feed for three-dimensional printing comprising a polyoxymethylene polymer 提克纳有限责任公司 2022-09-30 CN disclosed