SCHEMBL528483

SCHEMBL528483

Cc1ccc(N(Cc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
KCNH2 Q12809 1/20 0.50
GAA P10253 1/20 0.48
CYP19A1 P11511 1/20 0.47
SIRT2 Q8IXJ6 2/20 0.46
ROCK2 O75116 1/20 0.46

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
SCHEMBL529561 0.91 SMN1; SMN2 (0.48) MAPTHTTSMN1; SMN2LMNANPSR1
SCHEMBL528374 0.89 SMN1; SMN2 (0.45) MAPTHTTSMN1; SMN2LMNANPSR1
SCHEMBL528757 0.89 MAPT (0.54) MAPTHTTSMN1; SMN2LMNANPSR1
SCHEMBL529360 0.88 LMNA (0.67) MAPTHTTSMN1; SMN2LMNANPSR1
SCHEMBL528969 0.88 MAPT (0.60) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL528714 0.87 SMN1; SMN2 (0.57) MAPTHTTSMN1; SMN2LMNANPSR1
SCHEMBL528307 0.87 KMT2A (0.63) MAPTHTTSMN1; SMN2LMNANPSR1
SCHEMBL528077 0.87 SMN1; SMN2 (0.57) MAPTHTTSMN1; SMN2LMNANPSR1
SCHEMBL528646 0.87 ALDH1A1 (0.59) MAPTHTTSMN1; SMN2LMNANPSR1
SCHEMBL528058 0.86 MEN1 (0.67) MAPTHTTSMN1; SMN2LMNANPSR1

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