SCHEMBL372586

SCHEMBL372586

O=S(=O)(NCc1ccc(-c2ncco2)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KEAP1 Q14145 1/20 0.56
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
POLB P06746 2/20 0.47
LTA4H P09960 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 2/20 0.46
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NAMPT P43490 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 2/20 0.44

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
SCHEMBL5510807 0.80 KEAP1 (0.61) LMNASMN1; SMN2KEAP1CA12CA9
SCHEMBL5521920 0.78 LMNA (0.68) LMNASMN1; SMN2KEAP1CA12CA9
SCHEMBL5516887 0.75 HDAC4 (0.64) LMNASMN1; SMN2KEAP1CA12CA9
SCHEMBL5513620 0.75 CA2 (0.61) LMNASMN1; SMN2KEAP1CA12CA9
SCHEMBL407414 0.74 KEAP1 (1.00) LMNASMN1; SMN2KEAP1CA12CA9
SCHEMBL5512931 0.74 SMN1; SMN2 (0.61) LMNASMN1; SMN2KEAP1CA12CA9
SCHEMBL5510248 0.74 CA2 (0.57) LMNASMN1; SMN2KEAP1CA12CA9
SCHEMBL4662893 0.74 SMN1; SMN2 (1.00) LMNASMN1; SMN2KEAP1CA12CA9
Hydrochloric Acid SCHEMBL3516799 0.73 KEAP1 (0.96) LMNASMN1; SMN2KEAP1CA12CA9
SCHEMBL534569 0.72 LMNA (0.63) LMNASMN1; SMN2KEAP1CA12CA9

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
EP-2408756-A1 ALPHA-(N-BENZENESULFONAMIDO)CYCLOALKYL DERIVATIVES Bristol-Myers Squibb Company (US) 2012-01-25 EP disclosed
WO-2010108067-A1 ALPHA-(N-BENZENESULFONAMIDO)CYCLOALKYL DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-23 WO disclosed