SCHEMBL367255

SCHEMBL367255

NC(=O)c1cc(O)c2c(C(=O)O)c3ccccn3c2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
BAZ2B Q9UIF8 2/20 0.40
BAZ2A Q9UIF9 2/20 0.40
IDO1 P14902 1/20 0.40
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
DHODH Q02127 2/20 0.38
PARP1 P09874 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL367221 0.92 BAZ2B (0.42) PTGS2BAZ2BBAZ2AFNTAFNTB
SCHEMBL366820 0.90 IDO1 (0.43) PTGS2BAZ2BBAZ2AIDO1FNTA
SCHEMBL365022 0.89 PTGS2 (0.39) PTGS2BAZ2BBAZ2AIDO1FNTA
SCHEMBL365788 0.86 BAZ2B (0.45) PTGS2BAZ2BBAZ2AIDO1FNTA
SCHEMBL366789 0.83 IDO1 (0.38) PTGS2BAZ2BBAZ2AIDO1FNTA
SCHEMBL365770 0.83 BAZ2B (0.45) BAZ2BBAZ2AMAPT
SCHEMBL367749 0.82 NPC1 (0.41) PTGS2BAZ2BBAZ2AFNTAFNTB
SCHEMBL364537 0.80 BAZ2B (0.38) BAZ2BBAZ2AMAPT
SCHEMBL366810 0.79 PTGS2 (0.45) PTGS2BAZ2BBAZ2AIDO1FNTA
SCHEMBL366115 0.78 CA1 (0.41) PTGS2IDO1MAPT

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