SCHEMBL528121

SCHEMBL528121

COc1ccc(Cl)cc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.75
HTT P42858 2/20 0.75
HPGD P15428 4/20 0.61
KDM4E B2RXH2 3/20 0.61
LMNA P02545 5/20 0.58
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 1/20 0.51
KCNH2 Q12809 1/20 0.49
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL528500 0.91 MAPT (0.77) MAPTHTTHPGDKDM4ELMNA
SCHEMBL528834 0.90 MAPT (0.62) MAPTHTTHPGDKDM4ELMNA
SCHEMBL528717 0.90 MAPT (0.76) MAPTHTTHPGDKDM4ELMNA
SCHEMBL527892 0.88 MAPT (0.73) MAPTHTTHPGDKDM4ELMNA
SCHEMBL528805 0.88 MAPT (0.58) MAPTHTTHPGDKDM4ELMNA
SCHEMBL528849 0.87 MAPT (0.73) MAPTHTTHPGDKDM4ELMNA
SCHEMBL528837 0.86 MAPT (0.72) MAPTHTTHPGDKDM4ELMNA
SCHEMBL529049 0.86 MAPT (0.57) MAPTHTTHPGDKDM4ELMNA
SCHEMBL528307 0.83 KMT2A (0.63) MAPTHTTHPGDKDM4ELMNA
SCHEMBL528938 0.83 ALDH1A1 (0.59) MAPTHTTHPGDKDM4ELMNA

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