SCHEMBL528770

SCHEMBL528770

Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
HTT P42858 1/20 0.60
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 4/20 0.60
HPGD P15428 3/20 0.60
NPSR1 Q6W5P4 4/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 4/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KCNH2 Q12809 1/20 0.49
GAA P10253 2/20 0.49
CACNA1H O95180 1/20 0.48
CACNA1B Q00975 1/20 0.48

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
SCHEMBL528588 0.91 NPSR1 (0.56) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL527892 0.90 MAPT (0.73) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528045 0.88 MAPT (0.61) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528449 0.86 ALDH1A1 (0.67) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528799 0.86 MAPT (0.59) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528988 0.84 ALDH1A1 (0.62) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL529111 0.84 MAPT (0.64) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528208 0.84 ALDH1A1 (0.64) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL529394 0.83 LMNA (0.53) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528058 0.83 MEN1 (0.67) MAPTHTTALDH1A1KDM4EHPGD

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