SCHEMBL530859

SCHEMBL530859

Cc1c(C(N)=O)ccc(S(C)(=O)=O)c1N

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
SLC9A1 P19634 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
ADRA1D P25100 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1780016 0.86 L3MBTL1 (0.42) L3MBTL1ALDH1A1
SCHEMBL30963122 0.86 L3MBTL1 (0.42) L3MBTL1ALDH1A1
SCHEMBL28943030 0.82 SLC9A1 (0.38) L3MBTL1SLC9A1ADRA1DALDH1A1
SCHEMBL7946106 0.79 ALDH1A1 (0.47) ALDH1A1
SCHEMBL8517076 0.76 BCAT2 (0.44) IKBKBCHUKALDH1A1
SCHEMBL8302388 0.76 CA12 (0.42) L3MBTL1ALDH1A1
SCHEMBL28519039 0.75 L3MBTL1 (0.42) L3MBTL1ALDH1A1
SCHEMBL5271561 0.75 L3MBTL1 (0.48) L3MBTL1ALDH1A1
SCHEMBL10339148 0.75 L3MBTL1 (0.53) L3MBTL1ALDH1A1
SCHEMBL27614341 0.75 POLB (0.48) ALDH1A1

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