SCHEMBL28547827

SCHEMBL28547827

CC1=CCN(c2ccccn2)C=C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
CD274 Q9NZQ7 2/20 0.40
PDCD1 Q15116 1/20 0.40
PLD1 Q13393 1/20 0.38
CRBN Q96SW2 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35

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
SCHEMBL390365 0.80 PLD1 (0.38) SMN1; SMN2PLD1CRBNKDM4EALDH1A1
SCHEMBL1383463 0.75 ALKBH2 (0.41) SMN1; SMN2CRBNKDM4EALDH1A1
SCHEMBL2513039 0.74 HPGD (0.47) SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL1370074 0.74 PLK4 (0.38) SMN1; SMN2CRBNKDM4EALDH1A1MAPT
SCHEMBL28536215 0.73 SMN1; SMN2 (0.42) SMN1; SMN2CD274PDCD1PLD1KDM4E
SCHEMBL28545863 0.72 HTT (0.43) SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL28013191 0.72 KDM4E (0.44) SMN1; SMN2CRBNKDM4EALDH1A1
SCHEMBL2096767 0.70 PLD1 (0.44) SMN1; SMN2PLD1CRBNKDM4EALDH1A1
SCHEMBL30565007 0.70 PLD1 (0.44) SMN1; SMN2PLD1CRBNKDM4EALDH1A1
SCHEMBL1140766 0.70 PLD1 (0.47) SMN1; SMN2CD274PDCD1PLD1CRBN

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-B Method for synthesizing pyrido [1,2-a ] indole-6 (1H) -ketone compound by manganese catalysis 陕西师范大学 2021-04-09 CN disclosed