SCHEMBL4575201

SCHEMBL4575201

Cc1cc(S(C)(=O)=O)[nH]c1CBr

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL23923900 0.65 GAA (0.39) MAPK1
SCHEMBL30317842 0.64 SLC9A1 (0.36) MAPK1PTGS2
SCHEMBL4575448 0.64 ALDH1A1 (0.35) PTGS2
SCHEMBL5756302 0.59 L3MBTL1 (0.55) L3MBTL1
SCHEMBL2117133 0.58 CA1 (0.48) MAPK1PTGS2
SCHEMBL4575203 0.58 — —
SCHEMBL1940207 0.58 LMNA (0.38) L3MBTL1PTGS2
SCHEMBL24876001 0.56 GRIN2D (0.64) —
SCHEMBL2220389 0.56 SMN1; SMN2 (0.35) PTGS2
SCHEMBL15478488 0.56 RAPGEF4 (0.52) L3MBTL1

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-2008039087-A2 INDOLINE DERIVATIVES AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2008-04-03 — — WO claimed
WO-2008039087-A2 INDOLINE DERIVATIVES AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2008-04-03 — — WO disclosed
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