SCHEMBL365749

SCHEMBL365749

COC(=O)c1c2ccc(C(=O)NCCO)cc2n2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SAE1 Q9UBE0 2/20 0.45
UBA2 Q9UBT2 2/20 0.45
APAF1 O14727 1/20 0.45
G6PD P11413 1/20 0.45
PABPC1 P11940 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
POLB P06746 2/20 0.44
HTT P42858 3/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 3/20 0.43
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42

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
SCHEMBL364295 0.91 HPGD (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL361356 0.88 EGFR (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL365908 0.87 KDM4E (0.45) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL31060260 0.87 KDM4E (0.45) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL366389 0.86 ALDH1A1 (0.44) KDM4EMAPTALDH1A1MEN1KMT2A
Potassium Ion SCHEMBL367740 0.85 KDM4E (0.44) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL364264 0.85 MAPT (0.46) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL364926 0.84 MAPT (0.49) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL366487 0.84 MAPT (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL366337 0.84 MAPT (0.47) KDM4EMAPTALDH1A1MEN1KMT2A

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 4 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
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed