SCHEMBL367204

SCHEMBL367204

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.43
EGFR P00533 2/20 0.40
SRC P12931 1/20 0.40
RARG P13631 1/20 0.40
IDO1 P14902 1/20 0.39
S1PR3 Q99500 1/20 0.39
PTGS2 P35354 1/20 0.39
GAA P10253 1/20 0.39
ACSS2 Q9NR19 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
PABPC1 P11940 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KMT2A Q03164 1/20 0.38
SAE1 Q9UBE0 1/20 0.38

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
SCHEMBL365916 0.88 KDM4E (0.40) RORCEGFRSRCS1PR3GAA
SCHEMBL365249 0.86 MAPT (0.45) RORCEGFRSRCIDO1S1PR3
SCHEMBL365934 0.86 KDM4E (0.45) RORCEGFRSRCIDO1PTGS2
SCHEMBL366875 0.85 EGFR (0.42) EGFRSRCIDO1PTGS2KDM4E
SCHEMBL366810 0.83 PTGS2 (0.45) EGFRIDO1PTGS2KDM4EMEN1
SCHEMBL366789 0.82 IDO1 (0.38) RORCEGFRSRCRARGIDO1
SCHEMBL366370 0.82 EGFR (0.43) EGFRSRCIDO1PTGS2ACSS2
SCHEMBL365387 0.81 ALDH1A1 (0.46) GAAKDM4EMEN1APAF1ALDH1A1
SCHEMBL366033 0.79 NPC1 (0.40) IDO1PTGS2GAAKDM4EALDH1A1
SCHEMBL365911 0.79 CES1 (0.42) RORCEGFRIDO1PTGS2KDM4E

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