SCHEMBL528344

SCHEMBL528344

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 6/20 0.52
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
KCNH2 Q12809 1/20 0.48
GPR17 Q13304 1/20 0.47

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
SCHEMBL528111 0.91 MAPT (0.48) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528554 0.91 MEN1 (0.57) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL529349 0.90 MAPT (0.61) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528931 0.89 MAPT (0.47) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528307 0.89 KMT2A (0.63) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL529287 0.89 KMT2A (0.64) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528499 0.89 MAPT (0.63) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL528754 0.88 MAPT (0.56) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528820 0.88 MAPT (0.56) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528395 0.88 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed