SCHEMBL6214525

SCHEMBL6214525

N#CCN1CCC(CN2C(=O)c3cccc(NC(=O)C4=CC(Cl)=CCC4=S)c3C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
RPS6KA2 Q15349 2/20 0.32
NR1I2 O75469 1/20 0.32
UGCG Q16739 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRB2 P07550 3/20 0.31
ADRB1 P08588 3/20 0.31
ADRB3 P13945 3/20 0.31
CHRM3 P20309 2/20 0.30
HTR4 Q13639 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL6218958 0.92 ACHE (0.55) ACHERPS6KA2
SCHEMBL5783192 0.88 ACHE (0.38) ACHERPS6KA2NR1I2UGCGKDM4E
SCHEMBL5784229 0.88 ACHE (0.38) ACHERPS6KA2NR1I2UGCGKDM4E
SCHEMBL6220595 0.87 ACHE (0.39) ACHEKDM4EALDH1A1KMT2A
SCHEMBL5784447 0.85 ACHE (0.41) ACHERPS6KA2NR1I2UGCGKDM4E
SCHEMBL6220121 0.85 ACHE (0.41) ACHERPS6KA2NR1I2UGCGKDM4E
SCHEMBL6218216 0.84 ACHE (0.41) ACHEALDH1A1
SCHEMBL6217132 0.82 ACHE (0.57) ACHERPS6KA2CHRM3
SCHEMBL5783534 0.82 HDAC1 (0.40) ACHERPS6KA2KDM4EALDH1A1MAPT
SCHEMBL5781219 0.81 ACHE (0.39) ACHERPS6KA2KDM4EALDH1A1MAPT

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
EP-1414817-B1 substituted isoindoles and the use thereof BAYER HEALTHCARE AG (DE) 2005-04-06 EP disclosed