SCHEMBL529413

SCHEMBL529413

CCCc1ccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 2/20 0.56
GALR3 O60755 1/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 4/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 3/20 0.56
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
KCNH2 Q12809 1/20 0.54
HPGD P15428 2/20 0.54
GAA P10253 2/20 0.49
ENPP1 P22413 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
SCHEMBL529360 0.90 LMNA (0.67) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL528714 0.88 SMN1; SMN2 (0.57) KDM4EMAPTSMN1; SMN2LMNAHTT
SCHEMBL528307 0.88 KMT2A (0.63) KDM4EMAPTSMN1; SMN2LMNAHTT
SCHEMBL528646 0.88 ALDH1A1 (0.59) KDM4EMAPTSMN1; SMN2LMNAHTT
SCHEMBL528077 0.88 SMN1; SMN2 (0.57) KDM4EMAPTSMN1; SMN2LMNAHTT
SCHEMBL528058 0.88 MEN1 (0.67) KDM4EMAPTSMN1; SMN2LMNAHTT
SCHEMBL529287 0.88 KMT2A (0.64) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL528855 0.88 MAPT (0.56) KDM4ERAB9AMAPTSMN1; SMN2LMNA
SCHEMBL528800 0.87 MAPT (0.62) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL529239 0.87 MAPT (0.55) KDM4EMAPTSMN1; SMN2LMNAHTT

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