SCHEMBL529428

SCHEMBL529428

COc1ccc(OC)c(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
LMNA P02545 5/20 0.57
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 3/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NR3C1 P04150 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MMP1 P03956 2/20 0.49
MMP13 P45452 2/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
MMP9 P14780 1/20 0.49

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
SCHEMBL529284 0.91 ALDH1A1 (0.56) MAPTLMNAKDM4EHPGDALDH1A1
SCHEMBL528265 0.91 ALDH1A1 (0.54) MAPTLMNAKDM4EHPGDALDH1A1
SCHEMBL528787 0.88 MAPT (0.56) MAPTKDM4EHPGDALDH1A1HTT
SCHEMBL528937 0.88 MAPT (0.47) MAPTLMNAKDM4EHPGDALDH1A1
SCHEMBL528901 0.88 MAPT (0.74) MAPTLMNAKDM4EHPGDALDH1A1
SCHEMBL529518 0.86 MAPT (0.46) MAPTLMNAKDM4EHPGDALDH1A1
SCHEMBL529032 0.86 MAPT (0.77) MAPTLMNAKDM4EHPGDALDH1A1
SCHEMBL528487 0.85 MAPT (0.46) MAPTLMNAKDM4EHPGDALDH1A1
SCHEMBL528272 0.84 MAPT (0.45) MAPTLMNAKDM4EHPGDALDH1A1
SCHEMBL528702 0.84 MAPT (0.58) MAPTLMNAKDM4EHPGDALDH1A1

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