SCHEMBL528697

SCHEMBL528697

COc1ccc(OC)c(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)c3cn(C)cn3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OXTR P30559 1/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CYP2C9 P11712 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
SCHEMBL528332 0.92 ALDH1A1 (0.51) MAPTHTTLMNAALDH1A1GAA
SCHEMBL528384 0.91 OXTR (0.44) MAPTHTTLMNAALDH1A1HPGD
SCHEMBL528225 0.85 MAPT (0.46) MAPTHTTLMNAALDH1A1GAA
SCHEMBL527903 0.84 MAPT (0.52) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL528851 0.84 RXFP1 (0.46) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL528787 0.83 MAPT (0.56) MAPTHTTALDH1A1GAANPSR1
SCHEMBL529428 0.83 MAPT (0.57) MAPTHTTLMNAALDH1A1NPSR1
SCHEMBL528937 0.83 MAPT (0.47) MAPTHTTLMNAALDH1A1GAA
SCHEMBL528549 0.82 MAPT (0.56) MAPTHTTLMNAALDH1A1GAA
SCHEMBL529518 0.81 MAPT (0.46) MAPTHTTLMNAALDH1A1GAA

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