SCHEMBL28624628

SCHEMBL28624628

O=C(NCCN1CCOCC1)c1cc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
HSD17B10 Q99714 3/20 1.00
ALDH1A1 P00352 3/20 1.00
MAPT P10636 1/20 0.70
PLD2 O14939 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.58
PDGFRB P09619 1/20 0.58
PDGFRA P16234 1/20 0.58
DRD3 P35462 3/20 0.58
DRD2 P14416 2/20 0.58
HTR2C P28335 2/20 0.58
HTR1A P08908 1/20 0.58
HTR2A P28223 1/20 0.58
KMT2A Q03164 1/20 0.56

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
SCHEMBL30175940 0.93 KDM4E (0.87) KDM4EHSD17B10ALDH1A1MAPTCYP1A2
SCHEMBL14006089 0.92 KDM4E (0.85) KDM4EHSD17B10ALDH1A1MAPTSLC6A2
SCHEMBL27015521 0.87 KDM4E (0.77) KDM4EHSD17B10ALDH1A1MAPTPLD2
SCHEMBL2760134 0.85 KDM4E (0.74) KDM4EHSD17B10ALDH1A1MAPTPLD2
SCHEMBL7894771 0.85 KDM4E (0.74) KDM4EHSD17B10ALDH1A1MAPTCYP1A2
SCHEMBL7947246 0.85 KDM4E (0.74) KDM4EHSD17B10ALDH1A1MAPTCYP1A2
SCHEMBL24076565 0.84 KDM4E (0.75) KDM4EHSD17B10ALDH1A1PLD2SLC6A2
Hydrochloric Acid SCHEMBL7884855 0.83 KDM4E (0.70) KDM4EHSD17B10ALDH1A1MAPTPLD2
Hydrochloric Acid SCHEMBL8629286 0.83 KDM4E (0.70) KDM4EHSD17B10ALDH1A1MAPTPLD2
SCHEMBL25040938 0.82 KDM4E (0.69) KDM4EHSD17B10ALDH1A1MAPTCYP1A2

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-108530335-B Indole compound and preparation method and application thereof 华南农业大学 2021-08-31 CN disclosed