SCHEMBL8404543

SCHEMBL8404543

Cc1cc2cc(Br)c(Cl)cc2cc1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.34
ACLY P53396 2/20 0.33
CSNK2A1 P68400 1/20 0.33
ALDH1A1 P00352 2/20 0.32
WDR5 P61964 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
CCR2 P41597 1/20 0.31
AHR P35869 1/20 0.31
GLP1R P43220 2/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 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
SCHEMBL8404549 1.00 L3MBTL1 (0.37) L3MBTL1POLBACLYCSNK2A1ALDH1A1
SCHEMBL8404554 0.87 L3MBTL1 (0.42) L3MBTL1POLBALDH1A1LMNATSHR
SCHEMBL8404548 0.87 L3MBTL1 (0.42) L3MBTL1ALDH1A1GLP1RLMNA
SCHEMBL8408244 0.86 CA1 (0.38) L3MBTL1POLBALDH1A1LMNA
SCHEMBL8408243 0.86 CA1 (0.38) L3MBTL1POLBALDH1A1LMNA
SCHEMBL8404747 0.79 PTGS2 (0.37) L3MBTL1ALDH1A1CCR2
SCHEMBL8404540 0.79 L3MBTL1 (0.37) L3MBTL1POLBALDH1A1CCR2LMNA
SCHEMBL8404545 0.79 PTGS2 (0.37) L3MBTL1ALDH1A1CCR2
SCHEMBL8404546 0.79 L3MBTL1 (0.37) L3MBTL1POLBALDH1A1CCR2LMNA
SCHEMBL8404547 0.74 CA1 (0.42) L3MBTL1POLBALDH1A1LMNA

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
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed