SCHEMBL528351

SCHEMBL528351

Cc1ccc(N(Cc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)S(=O)(=O)C2CC2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 5/20 0.47
ALDH1A1 P00352 6/20 0.46
HPGD P15428 4/20 0.46
POLB P06746 3/20 0.45
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL528269 0.90 NPSR1 (0.53) MAPTHTTKDM4ESMN1; SMN2LMNA
SCHEMBL528797 0.86 MAPT (0.51) MAPTHTTKDM4ESMN1; SMN2LMNA
SCHEMBL528675 0.84 MAPT (0.51) MAPTHTTKDM4ESMN1; SMN2LMNA
SCHEMBL528306 0.83 KDM4E (0.67) MAPTHTTKDM4ESMN1; SMN2LMNA
SCHEMBL528805 0.83 MAPT (0.58) MAPTHTTKDM4ESMN1; SMN2LMNA
SCHEMBL529288 0.83 MAPT (0.58) MAPTHTTKDM4ESMN1; SMN2LMNA
SCHEMBL528277 0.82 MAPT (0.62) MAPTHTTKDM4ESMN1; SMN2LMNA
SCHEMBL529361 0.81 ALDH1A1 (0.50) MAPTHTTKDM4ELMNAALDH1A1
SCHEMBL529461 0.79 MAPT (0.50) MAPTHTTKDM4ESMN1; SMN2LMNA
SCHEMBL528053 0.79 MAPT (0.55) MAPTHTTKDM4ESMN1; SMN2LMNA

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