SCHEMBL528757

SCHEMBL528757

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
P2RY2 P41231 1/20 0.48
GPR17 Q13304 1/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
CNR1 P21554 1/20 0.48
SIRT2 Q8IXJ6 2/20 0.48
ROCK2 O75116 1/20 0.48
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
CCR2 P41597 1/20 0.47
BRAF P15056 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
SCHEMBL528642 0.92 LMNA (0.48) MAPTNPSR1P2RY2GPR17CNR1
SCHEMBL528568 0.90 CCR2 (0.47) MAPTNPSR1P2RY2GPR17CNR1
SCHEMBL528483 0.89 MAPT (0.54) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL527969 0.89 MAPT (0.60) MAPTKMT2AP2RY2GPR17ALDH1A1
SCHEMBL529349 0.87 MAPT (0.61) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL529287 0.86 KMT2A (0.64) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL527890 0.86 MAPT (0.62) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL528820 0.85 MAPT (0.56) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL528344 0.85 MAPT (0.56) MAPTNPSR1MEN1KMT2AGPR17
SCHEMBL528395 0.85 MAPT (0.56) MAPTNPSR1MEN1KMT2AALDH1A1

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