SCHEMBL366837

SCHEMBL366837

CC(=O)c1ccc2c(C(=O)CN(C)C)c3ccccn3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
G6PD P11413 1/20 0.39
PABPC1 P11940 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KMT2A Q03164 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
BAZ2B Q9UIF8 8/20 0.38
BAZ2A Q9UIF9 8/20 0.38
HPGD P15428 2/20 0.38
BRD4 O60885 2/20 0.36
BRD9 Q9H8M2 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL364304 0.90 CHRM1 (0.38) ALDH1A1KDM4EMAPTMEN1APAF1
SCHEMBL367059 0.89 KDM4E (0.46) ALDH1A1KDM4EUSP2MAPTMEN1
SCHEMBL367060 0.89 KDM4E (0.46) ALDH1A1KDM4EUSP2MAPTMEN1
SCHEMBL366185 0.88 CYP1A2 (0.42) ALDH1A1KDM4EMAPTMEN1APAF1
SCHEMBL366441 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1APAF1
SCHEMBL366238 0.85 CYP1A2 (0.44) ALDH1A1KDM4EMAPTMEN1APAF1
SCHEMBL364388 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1APAF1
SCHEMBL366193 0.85 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTMEN1APAF1
SCHEMBL366192 0.85 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTMEN1APAF1
SCHEMBL367568 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTMEN1APAF1

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 3 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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed