SCHEMBL528084

SCHEMBL528084

Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 4/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 5/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 3/20 0.52
ALDH1A1 P00352 5/20 0.51
TRPV1 Q8NER1 3/20 0.51
HPGD P15428 2/20 0.50
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.49
ABL1 P00519 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
SCHEMBL528857 1.00 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL529426 0.92 LMNA (0.55) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL528120 0.90 LMNA (0.53) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL529548 0.90 MAPT (0.52) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL528293 0.88 MAPT (0.59) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL529239 0.88 MAPT (0.55) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL528007 0.88 MAPT (0.62) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL528800 0.88 MAPT (0.62) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL528646 0.86 ALDH1A1 (0.59) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL529360 0.86 LMNA (0.67) SMN1; SMN2MEN1KMT2ALMNAMAPT

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