SCHEMBL528112

SCHEMBL528112

Cc1ccc(N(Cc2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)cc1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
MAPT P10636 5/20 0.62
NPSR1 Q6W5P4 2/20 0.62
LMNA P02545 4/20 0.61
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PTGES O14684 1/20 0.51
HTT P42858 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KCNK3 O14649 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
SCHEMBL528554 0.90 MEN1 (0.57) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL529287 0.89 KMT2A (0.64) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL528058 0.89 MEN1 (0.67) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL529092 0.89 KMT2A (0.59) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL528847 0.88 MEN1 (0.55) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL529523 0.88 MAPT (0.56) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL529227 0.86 MAPT (0.57) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL528092 0.86 MAPT (0.70) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL528522 0.86 MEN1 (0.52) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL528589 0.86 MEN1 (0.52) KMT2AMEN1MAPTNPSR1LMNA

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