SCHEMBL28650387

SCHEMBL28650387

COc1ccc2c(c1N)C=C[N]2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
THRB P10828 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
NR3C1 P04150 1/20 0.35
ALDH1A1 P00352 5/20 0.33
ADRA1A P35348 2/20 0.33
CYP3A4 P08684 2/20 0.33
USP2 O75604 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
IDO1 P14902 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1091118 0.73 CA1 (0.41) MAPTGAAKDM4EL3MBTL1NPC1
SCHEMBL1014275 0.70 ALDH1A1 (0.50) MAPTGAAKDM4ETHRBL3MBTL1
SCHEMBL1710455 0.70 ALDH1A1 (0.50) MAPTGAAKDM4ETHRBL3MBTL1
SCHEMBL2497019 0.63 MAPT (0.48) MAPTGAAKDM4ETHRBL3MBTL1
Hydrochloric Acid SCHEMBL11056785 0.62 ADRA1A (0.37) MAPTGAAKDM4ETHRBL3MBTL1
SCHEMBL10353931 0.62 CYP19A1 (0.44) MAPTGAAKDM4ETHRBL3MBTL1
SCHEMBL31484407 0.62 CYP19A1 (0.44) MAPTGAAKDM4ETHRBL3MBTL1
SCHEMBL21615521 0.62 ALDH1A1 (0.48) MAPTGAAKDM4ETHRBL3MBTL1
SCHEMBL19729185 0.61 MAPT (0.57) MAPTGAAKDM4ETHRBL3MBTL1
SCHEMBL358973 0.61 ALDH1A1 (0.59) MAPTGAAKDM4ETHRBL3MBTL1

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-109608435-B Quinoline substituted indole compound, preparation method and application thereof 中国药科大学 2021-10-29 CN disclosed