SCHEMBL528670

SCHEMBL528670

Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3CC(C)C)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 3/20 0.61
HPGD P15428 2/20 0.61
HTT P42858 1/20 0.56
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 4/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KCNH2 Q12809 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
SCHEMBL528338 0.91 ALDH1A1 (0.51) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL529111 0.90 MAPT (0.64) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL529488 0.87 ALDH1A1 (0.63) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528449 0.87 ALDH1A1 (0.67) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528208 0.84 ALDH1A1 (0.64) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL529319 0.84 LMNA (0.58) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL529121 0.84 ALDH1A1 (0.64) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528645 0.83 ALDH1A1 (0.64) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528988 0.83 ALDH1A1 (0.62) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL527892 0.83 MAPT (0.73) MAPTALDH1A1KDM4EHPGDHTT

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