SCHEMBL7252736

SCHEMBL7252736

COc1ccc2c(c1)c(=O)c(C(=O)O)cn2CC(=O)Nc1ccc(C)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.76
POLB P06746 6/20 0.72
TP53 P04637 4/20 0.72
TDP1 Q9NUW8 4/20 0.72
BLM P54132 3/20 0.72
GAA P10253 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.66
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
HPGD P15428 1/20 0.64
TSHR P16473 1/20 0.64
RAB9A P51151 1/20 0.64
HSD17B10 Q99714 1/20 0.64
KMT2A Q03164 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
RXFP1 Q9HBX9 1/20 0.61
LMNA P02545 1/20 0.56

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
SCHEMBL7252162 0.92 MAPT (0.65) MAPTPOLBTP53TDP1BLM
SCHEMBL7252207 0.91 MAPT (0.77) MAPTPOLBTP53TDP1BLM
SCHEMBL7255926 0.89 MAPT (0.73) MAPTPOLBTP53TDP1BLM
SCHEMBL12700400 0.87 MAPT (1.00) MAPTPOLBTP53TDP1BLM
SCHEMBL7252222 0.84 MAPT (0.67) MAPTPOLBTP53TDP1BLM
SCHEMBL7252201 0.83 MAPT (0.66) MAPTPOLBTP53TDP1BLM
SCHEMBL7253056 0.82 ALDH1A1 (0.79) MAPTPOLBTP53TDP1BLM
SCHEMBL7252213 0.82 ALDH1A1 (0.68) MAPTPOLBTP53TDP1BLM
SCHEMBL15411512 0.81 GAA (0.98) MAPTPOLBTP53TDP1BLM
SCHEMBL15426021 0.81 MAPT (0.90) MAPTPOLBTP53TDP1BLM

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