SCHEMBL528228

SCHEMBL528228

Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.80
MAPT P10636 6/20 0.80
NPSR1 Q6W5P4 5/20 0.80
HPGD P15428 4/20 0.80
KDM4E B2RXH2 3/20 0.80
POLB P06746 1/20 0.63
HTT P42858 1/20 0.56
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RECQL P46063 1/20 0.52
GLA P06280 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
SCHEMBL528645 0.91 ALDH1A1 (0.64) ALDH1A1MAPTNPSR1HPGDKDM4E
SCHEMBL528449 0.86 ALDH1A1 (0.67) ALDH1A1MAPTNPSR1HPGDKDM4E
SCHEMBL528988 0.84 ALDH1A1 (0.62) ALDH1A1MAPTNPSR1HPGDKDM4E
SCHEMBL529111 0.84 MAPT (0.64) ALDH1A1MAPTNPSR1HPGDKDM4E
SCHEMBL528208 0.84 ALDH1A1 (0.64) ALDH1A1MAPTNPSR1HPGDKDM4E
SCHEMBL528058 0.83 MEN1 (0.67) ALDH1A1MAPTNPSR1HPGDKDM4E
SCHEMBL529488 0.83 ALDH1A1 (0.63) ALDH1A1MAPTNPSR1HPGDKDM4E
SCHEMBL527892 0.82 MAPT (0.73) ALDH1A1MAPTNPSR1HPGDKDM4E
SCHEMBL528770 0.81 MAPT (0.60) ALDH1A1MAPTNPSR1HPGDKDM4E
SCHEMBL529121 0.81 ALDH1A1 (0.64) ALDH1A1MAPTNPSR1HPGDKDM4E

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