SCHEMBL29950869

SCHEMBL29950869

Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
PARG Q86W56 2/20 0.49
ALDH1A1 P00352 8/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
JAK2 O60674 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL31581099 1.00 LMNA (0.50) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL3833569 0.83 LMNA (0.49) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL4879136 0.80 MAPT (0.47) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL12932763 0.80 ALDH1A1 (0.55) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL17204103 0.77 PIK3CG (0.50) ALDH1A1MAPK1PIK3CDPIK3CG
SCHEMBL1369496 0.77 LMNA (0.53) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL17132665 0.76 LMNA (0.49) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL2323303 0.76 ENPP2 (0.55) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL520205 0.75 MAPT (0.65) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL16599379 0.75 CA12 (0.60) LMNASMN1; SMN2KMT2ANPC1HPGD

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed