SCHEMBL29290944

SCHEMBL29290944

O=CC1C(Nc2ccccc2)=CC=CN1c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CSNK2A1 P68400 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
THRB P10828 1/20 0.32
POLB P06746 1/20 0.32
ALKBH2 Q6NS38 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
DHODH Q02127 1/20 0.31
SLC11A2 P49281 1/20 0.31
ALKBH3 Q96Q83 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30
KIT P10721 1/20 0.30
FLT3 P36888 1/20 0.30

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
SCHEMBL29290943 0.78 KDM4E (0.36) KDM4EALDH1A1POLBALKBH2EGLN1
SCHEMBL28099962 0.78 CRBN (0.35) KDM4EALDH1A1POLBALKBH2EGLN1
SCHEMBL28209858 0.78 SMN1; SMN2 (0.34) KDM4EALDH1A1NPSR1POLBALKBH2
SCHEMBL29290952 0.78 SMN1; SMN2 (0.41) KDM4EALDH1A1THRBPOLBALKBH2
SCHEMBL29290948 0.74 SLC11A2 (0.34) KDM4EPOLBPDCD1CD274SLC11A2
SCHEMBL27520939 0.68 PTGS2 (0.36) KDM4ECSNK2A1NPSR1SMN1; SMN2
SCHEMBL27504274 0.67 POLB (0.37) KDM4EALDH1A1POLBPDCD1CD274
SCHEMBL28565280 0.67 SMN1; SMN2 (0.34) KDM4EALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL28811086 0.65 CHRM2 (0.35) KDM4EALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL28545490 0.64 KDM4E (0.40) KDM4EALDH1A1CSNK2A1NPSR1THRB

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-109678854-A A kind of method that manganese catalyzes and synthesizes pyrido [1,2-a] indoles -6 (1H) -one class compound 陕西师范大学 2019-04-26 CN disclosed