SCHEMBL529523

SCHEMBL529523

COc1cccc(C(=O)Nc2cccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C19 P33261 1/20 0.52
KCNK3 O14649 2/20 0.52
KCNK9 Q9NPC2 2/20 0.52
KCNA5 P22460 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
HTT P42858 4/20 0.50
TP53 P04637 2/20 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
SCHEMBL527890 0.91 MAPT (0.62) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL529092 0.91 KMT2A (0.59) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL529227 0.91 MAPT (0.57) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL528835 0.90 MAPT (0.62) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL528112 0.88 KMT2A (0.70) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL528625 0.87 MAPT (0.54) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL528554 0.87 MEN1 (0.57) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL528632 0.86 ALDH1A1 (0.51) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL528145 0.85 MAPT (0.55) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL528261 0.83 MAPK1 (0.58) MAPTMEN1KMT2ANPSR1ALDH1A1

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