SCHEMBL28407461

SCHEMBL28407461

CSc1ccccc1N1C(=O)c2ccc(Cl)cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DNM2 P50570 1/20 0.41
S100A4 P26447 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
GRM1 Q13255 5/20 0.39
GRM4 Q14833 5/20 0.39

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
SCHEMBL6925710 0.84 POLB (0.50) MEN1KMT2ACYP3A4NFKB1PMP22
SCHEMBL3976791 0.84 MEN1 (0.53) MEN1KMT2AALDH1A1NPC1DNM2
SCHEMBL28396963 0.84 CA9 (0.44) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL28443013 0.83 DNM2 (0.37) MEN1KMT2ADPP4DPP8DPP9
SCHEMBL28443015 0.83 DNM2 (0.37) MEN1KMT2ADPP4DPP8DPP9
SCHEMBL28888894 0.82 CASP3 (0.40) MEN1KMT2AALDH1A1CYP3A4NFKB1
SCHEMBL28398980 0.82 AR (0.43) MEN1KMT2AALDH1A1ESR1ESR2
SCHEMBL28398974 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL28399875 0.80 NPC1 (0.46) DPP4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28398237 0.76 CHRM5 (0.43) MEN1KMT2AALDH1A1

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-108191737-B Process for producing N- (2-methylthiophenyl) isoindole-1, 3-dione compound 温州大学 2020-04-21 CN disclosed