SCHEMBL528290

SCHEMBL528290

Cc1ccc(N(Cc2ccc(NC(=O)c3ccc(F)cc3F)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 6/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KCNH2 Q12809 1/20 0.46
AVPR2 P30518 1/20 0.45
GPR27 Q9NS67 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SNCA P37840 1/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL528822 0.92 ALDH1A1 (0.49) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL529730 0.89 MAPT (0.58) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL528817 0.88 ALDH1A1 (0.48) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL528646 0.87 ALDH1A1 (0.59) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL528754 0.84 MAPT (0.56) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL528200 0.83 ALDH1A1 (0.55) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL528386 0.83 MAPT (0.53) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL528599 0.82 MAPT (0.51) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL529590 0.82 LMNA (0.49) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL528301 0.82 MAPT (0.48) ALDH1A1MAPTHPGDKDM4EHTT

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