SCHEMBL529239

SCHEMBL529239

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
HTT P42858 1/20 0.55
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
KCNH2 Q12809 1/20 0.51
TRPV4 Q9HBA0 1/20 0.49
GAA P10253 1/20 0.48
TRPV1 Q8NER1 2/20 0.47
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
POLB P06746 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
SCHEMBL528855 0.91 MAPT (0.56) MAPTHTTLMNASMN1; SMN2NPSR1
SCHEMBL528788 0.90 MAPT (0.54) MAPTHTTLMNANPSR1ALDH1A1
SCHEMBL528646 0.90 ALDH1A1 (0.59) MAPTHTTLMNASMN1; SMN2NPSR1
SCHEMBL529360 0.89 LMNA (0.67) MAPTHTTLMNASMN1; SMN2NPSR1
SCHEMBL528084 0.88 SMN1; SMN2 (0.56) MAPTHTTLMNASMN1; SMN2NPSR1
SCHEMBL528857 0.88 SMN1; SMN2 (0.56) MAPTHTTLMNASMN1; SMN2NPSR1
SCHEMBL528714 0.88 SMN1; SMN2 (0.57) MAPTHTTLMNASMN1; SMN2NPSR1
SCHEMBL528077 0.88 SMN1; SMN2 (0.57) MAPTHTTLMNASMN1; SMN2NPSR1
SCHEMBL528307 0.88 KMT2A (0.63) MAPTHTTLMNASMN1; SMN2NPSR1
SCHEMBL528058 0.87 MEN1 (0.67) MAPTHTTLMNASMN1; SMN2NPSR1

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