SCHEMBL366491

SCHEMBL366491

C[S+]([O-])c1ccc2c(C(=O)O)c3ccccn3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
IDO1 P14902 3/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 7/20 0.38
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
MAPT P10636 5/20 0.38
SAE1 Q9UBE0 2/20 0.38
UBA2 Q9UBT2 2/20 0.38
PABPC1 P11940 2/20 0.38
APAF1 O14727 1/20 0.38
G6PD P11413 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL366108 0.88 KMT2A (0.40) EGFRPTGS2ALDH1A1KDM4EMEN1
SCHEMBL364532 0.86 MAPT (0.45) IDO1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL365774 0.79 ALDH1A1 (0.44) EGFRIDO1ALDH1A1KDM4EMEN1
SCHEMBL364218 0.79 ALDH1A1 (0.44) IDO1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL366492 0.78 EGFR (0.41) EGFRIDO1ALDH1A1KDM4EHPGD
SCHEMBL365934 0.77 KDM4E (0.45) EGFRIDO1PTGS2ALDH1A1KDM4E
SCHEMBL366887 0.77 KDM4E (0.56) EGFRIDO1PTGS2ALDH1A1KDM4E
SCHEMBL367746 0.77 EGFR (0.43) EGFRIDO1PTGS2ALDH1A1KDM4E
SCHEMBL365778 0.77 EGFR (0.42) EGFRIDO1PTGS2ALDH1A1KDM4E
SCHEMBL366875 0.77 EGFR (0.42) EGFRIDO1PTGS2ALDH1A1KDM4E

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