SCHEMBL7252168

SCHEMBL7252168

COc1ccc2c(=O)c(C(=O)O)cn(CC(=O)Nc3cccc(Cl)c3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
POLB P06746 6/20 0.57
TDP1 Q9NUW8 4/20 0.57
BLM P54132 3/20 0.57
TP53 P04637 3/20 0.57
RXFP1 Q9HBX9 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.53

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
SCHEMBL7252222 0.93 MAPT (0.67) MAPTPOLBTDP1BLMTP53
SCHEMBL7252201 0.89 MAPT (0.66) MAPTPOLBTDP1BLMTP53
SCHEMBL7252162 0.84 MAPT (0.65) MAPTPOLBTDP1BLMTP53
SCHEMBL7252721 0.82 MAPT (0.66) MAPTPOLBTDP1BLMTP53
SCHEMBL7252207 0.82 MAPT (0.77) MAPTPOLBTDP1BLMTP53
SCHEMBL7252752 0.79 ALDH1A1 (0.64) MAPTTDP1TP53SMN1; SMN2GAA
SCHEMBL15410142 0.78 MAPT (0.68) MAPTPOLBTDP1BLMTP53
SCHEMBL7252736 0.77 MAPT (0.76) MAPTPOLBTDP1BLMTP53
SCHEMBL28959059 0.75 MAPT (0.91) MAPTPOLBTDP1BLMTP53
SCHEMBL1074591 0.73 MAPT (0.84) MAPTPOLBTDP1BLMTP53

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-2003010147-A1 ACIDIC QUINOLONE DERIVATIVES MERCK PATENT GMBH (DE) 2003-02-06 WO claimed
WO-2003010147-A1 ACIDIC QUINOLONE DERIVATIVES MERCK PATENT GMBH (DE) 2003-02-06 WO disclosed