SCHEMBL9565341

SCHEMBL9565341

CCC(O)N1C(=N)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 7/20 0.41
GAA P10253 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TNF P01375 4/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9348267 0.88 TDP1 (0.49) TDP1LMNAALDH1A1GAAPOLB
SCHEMBL7051684 0.74 ALDH1A1 (0.46) TDP1LMNAALDH1A1GAAPOLB
SCHEMBL4195640 0.73 CYP1B1 (0.57) TDP1LMNAALDH1A1GAAKDM4E
SCHEMBL6364898 0.72 TDP1 (0.52) TDP1LMNAALDH1A1GAAPOLB
SCHEMBL5490233 0.72 TDP1 (0.52) TDP1LMNAALDH1A1GAAPOLB
SCHEMBL11389346 0.71 ASAH1 (0.44) TDP1LMNAALDH1A1GAAPOLB
SCHEMBL6666103 0.71 TDP1 (0.50) TDP1LMNAALDH1A1GAAPOLB
SCHEMBL19615470 0.71 TDP1 (0.50) TDP1LMNAALDH1A1GAAPOLB
SCHEMBL6127956 0.71 TDP1 (0.65) TDP1LMNAALDH1A1GAAPOLB
SCHEMBL29459229 0.71 TDP1 (0.65) TDP1LMNAALDH1A1GAAPOLB

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
EP-0531719-A1 Electrophotographic toners and 3-iminoisoindoline derivatives BAYER AG (DE) 1993-03-17 EP disclosed