SCHEMBL7499509

SCHEMBL7499509

CC(C)(C)[C@@](Cc1c[nH]c2ccccc12)(NC(=O)O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
BLM P54132 2/20 0.46
APAF1 O14727 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MPO P05164 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
ACE P12821 1/20 0.46
CCKBR P32239 1/20 0.45
PKM P14618 2/20 0.45

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
SCHEMBL3958818 0.79 KDM4E (0.47) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL8892465 0.79 KDM4E (0.49) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL8892454 0.79 KDM4E (0.49) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL4659586 0.78 MEN1 (0.46) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL22835926 0.76 NMBR (0.53) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL4121782 0.75 PKM (0.50) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL4121788 0.75 PKM (0.50) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL4132288 0.75 PKM (0.50) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL343309 0.75 MAPT (0.54) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL200589 0.75 MAPT (0.54) MAPTKDM4EMEN1KMT2ALMNA

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-1086101-B1 BETA-CARBOLINE COMPOUNDS SOD CONSEILS RECH APPLIC (FR) 2002-12-18 EP disclosed