SCHEMBL528550

SCHEMBL528550

Cc1ccc(N(Cc2ccc(NC(=O)c3ccc(C)c(Cl)c3)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 6/20 0.54
KCNH2 Q12809 1/20 0.54
MAPT P10636 5/20 0.54
HTT P42858 1/20 0.54
LMNA P02545 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 2/20 0.49
GAA P10253 3/20 0.49
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL528307 0.91 KMT2A (0.63) ALDH1A1SMN1; SMN2KCNH2MAPTHTT
SCHEMBL528391 0.90 MAPT (0.62) ALDH1A1SMN1; SMN2KCNH2MAPTHTT
SCHEMBL529360 0.88 LMNA (0.67) ALDH1A1SMN1; SMN2KCNH2MAPTHTT
SCHEMBL528344 0.88 MAPT (0.56) ALDH1A1SMN1; SMN2KCNH2MAPTHTT
SCHEMBL528386 0.87 MAPT (0.53) ALDH1A1SMN1; SMN2KCNH2MAPTHTT
SCHEMBL528714 0.86 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2KCNH2MAPTHTT
SCHEMBL528077 0.86 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2KCNH2MAPTHTT
SCHEMBL528646 0.86 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KCNH2MAPTHTT
SCHEMBL528337 0.86 MAPT (0.56) ALDH1A1SMN1; SMN2KCNH2MAPTHTT
SCHEMBL528058 0.86 MEN1 (0.67) ALDH1A1SMN1; SMN2KCNH2MAPTHTT

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

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