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SCHEMBL529284

SCHEMBL529284

COc1ccccc1C(=O)Nc1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MAPT P10636 10/20 0.53
▸ LMNA P02545 4/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ THRB P10828 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NR3C1 P04150 1/20 0.49
▸ GAA P10253 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
SCHEMBL528265 0.92 ALDH1A1 (0.54) ALDH1A1HTTHPGDSMN1; SMN2MAPT
SCHEMBL529428 0.91 MAPT (0.57) ALDH1A1HTTHPGDSMN1; SMN2MAPT
SCHEMBL528613 0.91 MAPT (0.54) ALDH1A1HTTHPGDSMN1; SMN2MAPT
SCHEMBL528468 0.90 L3MBTL1 (0.57) ALDH1A1HTTHPGDSMN1; SMN2MAPT
SCHEMBL528702 0.89 MAPT (0.58) ALDH1A1HTTHPGDSMN1; SMN2MAPT
SCHEMBL528514 0.89 L3MBTL1 (0.49) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL528660 0.87 L3MBTL1 (0.48) ALDH1A1HTTHPGDSMN1; SMN2MAPT
SCHEMBL529051 0.87 MAPT (0.71) ALDH1A1HTTHPGDSMN1; SMN2MAPT
SCHEMBL529639 0.87 MAPT (0.55) ALDH1A1HTTHPGDSMN1; SMN2MAPT
SCHEMBL528274 0.85 L3MBTL1 (0.47) ALDH1A1HTTHPGDSMN1; SMN2MAPT

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