SCHEMBL28246338

SCHEMBL28246338

O=CC(=O)C=O.c1ccc2c(c1)CCN2ON1CCc2ccccc21.c1ccc2c(c1)CCN2ON1CCc2ccccc21.c1ccc2c(c1)CCN2ON1CCc2ccccc21.c1ccc2c(c1)CCN2ON1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
TSHR P16473 3/20 0.45
ALDH1A1 P00352 6/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL9132803 0.84 ALDH1A1 (0.52) NOTUMTSHRALDH1A1HPGDMAPT
SCHEMBL3899031 0.78 ALDH1A1 (0.46) NOTUMTSHRALDH1A1HPGDMAPT
SCHEMBL21798510 0.75 NOTUM (0.50) NOTUMTSHRALDH1A1HPGDMAPT
SCHEMBL5069267 0.73 ALDH1A1 (0.50) NOTUMTSHRALDH1A1HPGDMAPT
SCHEMBL27761216 0.73 NOTUM (0.57) NOTUMTSHRALDH1A1HPGDMAPT
SCHEMBL29092593 0.73 SMN1; SMN2 (0.52) NOTUMTSHRALDH1A1HPGDMAPT
SCHEMBL28116257 0.73 SMN1; SMN2 (0.45) NOTUMTSHRALDH1A1HPGDMAPT
SCHEMBL8918372 0.72 NOTUM (0.55) NOTUMTSHRALDH1A1HPGDMAPT
SCHEMBL28048629 0.72 NOTUM (0.47) NOTUMTSHRALDH1A1HPGDMAPT
SCHEMBL5492983 0.71 NOTUM (0.64) NOTUMTSHRALDH1A1HPGDMAPT

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-108779243-A Poly- isoindolinone, preparation method and the composition and product formed by it 沙特基础工业全球技术有限公司 2018-11-09 CN disclosed