SCHEMBL28119211

SCHEMBL28119211

O=C1Nc2ccc(Nc3ccc(Cl)cc3)cc2C1(O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
ATM Q13315 1/20 0.47
PGR P06401 4/20 0.46
GSK3B P49841 2/20 0.43
CBX7 O95931 2/20 0.43
CDYL Q9Y232 2/20 0.43
CDYL2 Q8N8U2 1/20 0.43
CDY1; CDY1B Q9Y6F8 1/20 0.43
NQO2 P16083 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.39
BRD4 O60885 1/20 0.37
PIK3CD O00329 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 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
SCHEMBL28118833 0.88 ATM (0.47) IDO1ATMPGRGSK3BNQO2
SCHEMBL2495439 0.86 IDO1 (0.62) IDO1ATMPGRCBX7CDYL
SCHEMBL28119199 0.81 KIF11 (0.50) ATM
SCHEMBL28118836 0.79 NQO2 (0.47) IDO1PGRGSK3BCBX7CDYL
SCHEMBL28837811 0.79 NQO2 (0.47) IDO1PGRGSK3BCBX7CDYL
SCHEMBL28118909 0.78 NQO2 (0.46) IDO1GSK3BCBX7CDYLCDYL2
SCHEMBL15426102 0.76 TP53 (0.67) ATMPGRTP53SMN1; SMN2PIK3CD
SCHEMBL17166881 0.76 ATM (0.55) IDO1ATMPGRGSK3BTP53
SCHEMBL12165522 0.74 ATM (0.77) IDO1ATMSMN1; SMN2
SCHEMBL7465954 0.70 PGR (0.52) IDO1PGRCBX7CDYLCDYL2

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-106316923-A Disubstituted indol-2(1H)-one derivative and preparation method and application thereof 中南大学 2017-01-11 CN claimed
CN-106316923-A Disubstituted indol-2(1H)-one derivative and preparation method and application thereof 中南大学 2017-01-11 CN disclosed