SCHEMBL366370

SCHEMBL366370

CNC(=O)c1ccc2c(C(=O)O)c3ccccn3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.43
ACSS2 Q9NR19 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
PABPC1 P11940 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
KMT2A Q03164 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
SRC P12931 1/20 0.40
IDO1 P14902 1/20 0.39
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
PTGS2 P35354 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
SCHEMBL365470 0.88 EGFR (0.45) EGFRACSS2KDM4EMEN1APAF1
SCHEMBL364264 0.87 MAPT (0.46) EGFRKDM4EMEN1APAF1ALDH1A1
SCHEMBL365934 0.86 KDM4E (0.45) EGFRKDM4EMEN1APAF1ALDH1A1
SCHEMBL366783 0.85 SCN9A (0.54)
SCHEMBL366875 0.85 EGFR (0.42) EGFRKDM4EMEN1APAF1ALDH1A1
SCHEMBL366810 0.83 PTGS2 (0.45) EGFRKDM4EMEN1APAF1ALDH1A1
SCHEMBL31060260 0.83 KDM4E (0.45) ACSS2KDM4EMEN1ALDH1A1MAPT
SCHEMBL365908 0.83 KDM4E (0.45) ACSS2KDM4EMEN1ALDH1A1MAPT
SCHEMBL365665 0.82 HPGD (0.50) ACSS2KDM4EMEN1ALDH1A1MAPT
SCHEMBL367204 0.82 RORC (0.43) EGFRACSS2KDM4EMEN1APAF1

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