SCHEMBL528306

SCHEMBL528306

Cc1ccc(N(Cc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)S(=O)(=O)c2ccccc2)cc1C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.67
ALDH1A1 P00352 3/20 0.67
MAPT P10636 8/20 0.65
HPGD P15428 3/20 0.61
HTT P42858 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
PTGES O14684 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49

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
SCHEMBL528227 0.90 ALDH1A1 (0.64) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL528797 0.86 MAPT (0.51) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL528291 0.86 KDM4E (0.68) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL529003 0.84 MAPT (0.66) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL528853 0.84 MAPT (0.75) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL528499 0.84 MAPT (0.63) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL527884 0.83 MAPT (0.74) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL528041 0.83 HTT (0.56) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL528351 0.83 MAPT (0.48) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL528552 0.83 KDM4E (0.64) KDM4EALDH1A1MAPTHPGDHTT

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