SCHEMBL9953447

SCHEMBL9953447

COc1ncc(Br)cc1S(=O)(=O)Nc1cc(F)cc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.49
NPC1 O15118 1/20 0.49
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
ALPL P05186 8/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PIK3CD O00329 3/20 0.43
PIK3R1 P27986 3/20 0.43
PIK3CA P42336 3/20 0.43
PIK3CB P42338 3/20 0.43
PIK3CG P48736 3/20 0.43
POLB P06746 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.39
ACLY P53396 1/20 0.39

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
SCHEMBL9953524 0.88 SHMT2 (0.54) SHMT2NPC1ALPLMEN1KMT2A
SCHEMBL806782 0.88 SMN1; SMN2 (0.54) SHMT2NPC1ALPLMEN1KMT2A
SCHEMBL9954777 0.83 PIK3CD (0.56) SHMT2NPC1ALPLMEN1KMT2A
SCHEMBL806771 0.82 SHMT2 (0.55) SHMT2NPC1ALPLMEN1KMT2A
SCHEMBL16996888 0.80 PIK3C3 (0.60) MEN1KMT2APIK3R1PIK3CAPIK3CG
SCHEMBL30902109 0.80 PI4KA (0.53) PIK3R1PIK3CAPIK3CGPOLBPIK3C3
SCHEMBL9953017 0.80 PI4KA (0.53) PIK3R1PIK3CAPIK3CGPOLBPIK3C3
SCHEMBL9953641 0.79 SHMT2 (0.44) SHMT2NPC1ALPLMEN1KMT2A
SCHEMBL806765 0.79 LMNA (0.53) SHMT2NPC1ALPLMEN1KMT2A
SCHEMBL806788 0.79 POLB (0.53) SHMT2ALPLMEN1KMT2APIK3CD

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed