SCHEMBL529212

SCHEMBL529212

Cc1ccc(C)c(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)c3cn(C)cn3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 5/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 2/20 0.41
MAPK14 Q16539 1/20 0.40
SMO Q99835 1/20 0.40
KCNH2 Q12809 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL528549 0.92 MAPT (0.56) ALDH1A1KDM4EMAPTHTTHPGD
SCHEMBL539192 0.92 MAPT (0.49) NPSR1ALDH1A1KDM4EMAPTHTT
SCHEMBL527937 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHTTHPGD
SCHEMBL529354 0.86 MAPT (0.55) ALDH1A1KDM4EMAPTHTTHPGD
SCHEMBL528383 0.81 NPSR1 (0.65) NPSR1ALDH1A1KDM4EMAPTHTT
SCHEMBL528225 0.79 MAPT (0.46) ALDH1A1KDM4EMAPTHTTHPGD
SCHEMBL528384 0.78 OXTR (0.44) ALDH1A1KDM4EMAPTHTTHPGD
SCHEMBL527903 0.77 MAPT (0.52) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL528269 0.77 NPSR1 (0.53) NPSR1ALDH1A1KDM4EMAPTHTT
SCHEMBL528697 0.77 MAPT (0.42) NPSR1ALDH1A1KDM4EMAPTHTT

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