SCHEMBL528554

SCHEMBL528554

Cc1ccc(N(Cc2cccc(NC(=O)c3cccc(Cl)c3)c2)S(C)(=O)=O)cc1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
MAPT P10636 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
LMNA P02545 5/20 0.52
KCNK3 O14649 2/20 0.50
KCNK9 Q9NPC2 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PTBP1 P26599 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL528344 0.91 MAPT (0.56) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL528112 0.90 KMT2A (0.70) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL529348 0.87 SMN1; SMN2 (0.51) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL529523 0.87 MAPT (0.56) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL528321 0.86 MEN1 (0.48) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL528145 0.85 MAPT (0.55) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL529227 0.85 MAPT (0.57) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL528589 0.84 MEN1 (0.52) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL529092 0.83 KMT2A (0.59) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL529458 0.83 MAPT (0.52) MEN1KMT2AMAPTNPSR1LMNA

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