SCHEMBL366753

SCHEMBL366753

CCCCOC(=O)c1c2ccc(C(C)=O)cc2n2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 4/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.52
SAE1 Q9UBE0 2/20 0.52
UBA2 Q9UBT2 2/20 0.52
APAF1 O14727 1/20 0.52
G6PD P11413 1/20 0.52
PABPC1 P11940 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
EGFR P00533 1/20 0.47
LMNA P02545 4/20 0.45
HPGD P15428 3/20 0.45
XBP1 P17861 1/20 0.45
MPI P34949 1/20 0.45
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL364769 0.89 ALDH1A1 (0.61) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL365893 0.86 ALDH1A1 (0.53) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL366764 0.83 ALDH1A1 (0.50) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL364280 0.82 MAPT (0.47) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL365761 0.82 ALDH1A1 (0.43) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL366754 0.82 TSHR (0.45) KMT2AALDH1A1MEN1KDM4EEGFR
SCHEMBL365999 0.81 ALDH1A1 (0.48) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL367568 0.80 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL366944 0.80 ALDH1A1 (0.52) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL366762 0.80 ALDH1A1 (0.48) KMT2AALDH1A1MEN1MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed