SCHEMBL528145

SCHEMBL528145

COc1ccc(C(=O)Nc2cccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)c2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
HTT P42858 2/20 0.55
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 5/20 0.51
HPGD P15428 4/20 0.51
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
POLB P06746 1/20 0.51
ROCK2 O75116 1/20 0.49
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
GAA P10253 2/20 0.45

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
SCHEMBL528391 0.90 MAPT (0.62) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL529092 0.86 KMT2A (0.59) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL529458 0.86 MAPT (0.52) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL529523 0.85 MAPT (0.56) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL528554 0.85 MEN1 (0.57) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL528261 0.84 MAPK1 (0.58) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL528632 0.83 ALDH1A1 (0.51) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL528112 0.83 KMT2A (0.70) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL528834 0.82 MAPT (0.62) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL529422 0.82 NPC1 (0.53) MAPTHTTMEN1KMT2ASMN1; SMN2

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