SCHEMBL528272

SCHEMBL528272

COc1ccc(OC)c(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)C3CC3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
HTT P42858 3/20 0.45
TP53 P04637 2/20 0.44
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CYP2C9 P11712 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 3/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL528053 0.91 MAPT (0.55) MAPTHTTTP53ALDH1A1SMN1; SMN2
SCHEMBL528274 0.90 L3MBTL1 (0.47) MAPTHTTTP53ALDH1A1SMN1; SMN2
SCHEMBL528787 0.88 MAPT (0.56) MAPTHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL528937 0.88 MAPT (0.47) MAPTHTTTP53ALDH1A1SMN1; SMN2
SCHEMBL529518 0.86 MAPT (0.46) MAPTHTTTP53ALDH1A1SMN1; SMN2
SCHEMBL528487 0.85 MAPT (0.46) MAPTHTTTP53ALDH1A1SMN1; SMN2
SCHEMBL529428 0.84 MAPT (0.57) MAPTHTTTP53ALDH1A1SMN1; SMN2
SCHEMBL529461 0.84 MAPT (0.50) MAPTHTTTP53ALDH1A1SMN1; SMN2
SCHEMBL529438 0.83 MAPT (0.54) MAPTTP53ALDH1A1SMN1; SMN2NPSR1
SCHEMBL528572 0.81 RXFP1 (0.48) MAPTALDH1A1RXFP1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed