SCHEMBL528788

SCHEMBL528788

Cc1ccc(N(Cc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
PTGS1 P23219 1/20 0.50
RECQL P46063 1/20 0.50
HTT P42858 2/20 0.49
RAB9A P51151 1/20 0.49
BRAF P15056 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
ABL1 P00519 1/20 0.48
LCK P06239 1/20 0.48
KIT P10721 1/20 0.48

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
SCHEMBL529239 0.90 MAPT (0.55) MAPTNPSR1MEN1KMT2APOLB
SCHEMBL528754 0.87 MAPT (0.56) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL529349 0.87 MAPT (0.61) MAPTNPSR1MEN1KMT2APOLB
SCHEMBL529548 0.86 MAPT (0.52) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL529287 0.86 KMT2A (0.64) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528344 0.85 MAPT (0.56) MAPTNPSR1MEN1KMT2APOLB
SCHEMBL528395 0.85 MAPT (0.56) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528820 0.85 MAPT (0.56) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL527890 0.84 MAPT (0.62) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528855 0.83 MAPT (0.56) MAPTNPSR1MEN1KMT2ALMNA

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