SCHEMBL529360

SCHEMBL529360

Cc1ccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1C

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
MAPT P10636 5/20 0.64
NPSR1 Q6W5P4 3/20 0.64
KMT2A Q03164 6/20 0.62
ALDH1A1 P00352 5/20 0.62
MEN1 O00255 5/20 0.62
HTT P42858 1/20 0.60
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58
KCNH2 Q12809 1/20 0.56
GAA P10253 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL528077 0.91 SMN1; SMN2 (0.57) LMNASMN1; SMN2MAPTNPSR1KMT2A
SCHEMBL528646 0.91 ALDH1A1 (0.59) LMNASMN1; SMN2MAPTNPSR1KMT2A
SCHEMBL528307 0.91 KMT2A (0.63) LMNASMN1; SMN2MAPTNPSR1KMT2A
SCHEMBL528714 0.91 SMN1; SMN2 (0.57) LMNASMN1; SMN2MAPTNPSR1KMT2A
SCHEMBL529287 0.91 KMT2A (0.64) LMNASMN1; SMN2MAPTNPSR1KMT2A
SCHEMBL528058 0.91 MEN1 (0.67) LMNASMN1; SMN2MAPTNPSR1KMT2A
SCHEMBL528855 0.90 MAPT (0.56) LMNASMN1; SMN2MAPTNPSR1KMT2A
SCHEMBL528092 0.90 MAPT (0.70) LMNASMN1; SMN2MAPTNPSR1KMT2A
SCHEMBL529413 0.90 KDM4E (0.56) LMNASMN1; SMN2MAPTNPSR1KMT2A
SCHEMBL528800 0.89 MAPT (0.62) LMNASMN1; SMN2MAPTNPSR1KMT2A

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