SCHEMBL28118836

SCHEMBL28118836

CC(C)CCC1(O)C(=O)Nc2ccc(Nc3ccc(Cl)cc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.47
IDO1 P14902 3/20 0.47
GSK3B P49841 2/20 0.41
CBX7 O95931 2/20 0.41
CDYL Q9Y232 2/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
P2RX3 P56373 2/20 0.35
PGR P06401 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GHSR Q92847 2/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL28837904 0.88 NQO2 (0.47) NQO2IDO1GSK3BMEN1KMT2A
SCHEMBL28837811 0.83 NQO2 (0.47) NQO2IDO1GSK3BCBX7CDYL
SCHEMBL28118909 0.82 NQO2 (0.46) NQO2IDO1GSK3BCBX7CDYL
SCHEMBL28118828 0.80 KIF11 (0.48) NQO2GSK3B
SCHEMBL28119211 0.79 IDO1 (0.47) NQO2IDO1GSK3BCBX7CDYL
SCHEMBL28119198 0.71 NQO2 (0.47) NQO2IDO1GSK3BCBX7CDYL
SCHEMBL28305518 0.71 MEN1 (0.33) MEN1KMT2AP2RX3PGR
SCHEMBL28119197 0.71 NQO2 (0.46) NQO2IDO1GSK3BMEN1KMT2A
SCHEMBL28118834 0.69 NQO2 (0.46) NQO2IDO1CDYLCDYL2MEN1
SCHEMBL28118833 0.67 ATM (0.47) NQO2IDO1GSK3BMEN1KMT2A

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