SCHEMBL9115646

SCHEMBL9115646

COc1cc(NC(=O)[C@@H](N)CCC(N)=O)cc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.43
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 3/20 0.43
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
AAK1 Q2M2I8 9/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LTA4H P09960 2/20 0.40
ANO1 Q5XXA6 1/20 0.40
ANO2 Q9NQ90 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL20522666 0.84 AAK1 (0.56) AAK1
SCHEMBL5055276 0.84 AAK1 (0.56) AAK1
SCHEMBL1514737 0.83 KDM4E (0.41) TNIKROCK2ROCK1GAAKMT2A
SCHEMBL28979891 0.83 KDM4E (0.41) TNIKROCK2ROCK1GAAKMT2A
SCHEMBL6820161 0.82 LTA4H (0.55) TNIKKMT2AKDM4EALDH1A1NPSR1
SCHEMBL6820163 0.82 LTA4H (0.55) TNIKKMT2AKDM4EALDH1A1NPSR1
SCHEMBL7715008 0.82 LTA4H (0.55) KMT2AKDM4EALDH1A1NPSR1RXFP1
SCHEMBL7738208 0.82 TAAR1 (0.48) TNIKKMT2AAAK1KDM4EALDH1A1
SCHEMBL20460454 0.81 AAK1 (0.43) ROCK2ROCK1GAAKMT2AAAK1
SCHEMBL21753952 0.78 MEN1 (0.50) ROCK2ROCK1GAAKMT2AKDM4E

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
WO-1995012679-A1 ANTI-HELMINTH VACCINES BIOTECHNOLOGY AND BIOLOGICAL SCIENCES RESEARCH COUNCIL (GB) 1995-05-11 WO disclosed