SCHEMBL528337

SCHEMBL528337

Cc1cc(C)cc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HTT P42858 1/20 0.54
LMNA P02545 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KCNH2 Q12809 1/20 0.52
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
GAA P10253 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
SCHEMBL529349 0.90 MAPT (0.61) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL529287 0.89 KMT2A (0.64) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL529360 0.89 LMNA (0.67) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL527885 0.87 MAPT (0.57) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL528714 0.87 SMN1; SMN2 (0.57) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL528307 0.87 KMT2A (0.63) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL528646 0.87 ALDH1A1 (0.59) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL528077 0.87 SMN1; SMN2 (0.57) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL528058 0.87 MEN1 (0.67) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL529413 0.86 KDM4E (0.56) MAPTNPSR1MEN1KMT2AALDH1A1

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