SCHEMBL528265

SCHEMBL528265

COc1ccc(F)cc1C(=O)Nc1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 11/20 0.54
KDM4E B2RXH2 4/20 0.49
LMNA P02545 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR3C1 P04150 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
SCHEMBL529284 0.92 ALDH1A1 (0.56) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL529428 0.91 MAPT (0.57) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL528401 0.88 MAPT (0.47) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL529051 0.87 MAPT (0.71) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL529290 0.86 MAPT (0.46) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL531055 0.85 MAPT (0.71) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL528702 0.84 MAPT (0.58) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL528613 0.83 MAPT (0.54) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL528590 0.83 MAPT (0.63) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL527918 0.83 HPGD (0.65) ALDH1A1HPGDHTTSMN1; SMN2MAPT

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