SCHEMBL3469217

SCHEMBL3469217

CC(C)S(=O)(=O)N(C)c1cc(C(=O)OC(C)(C)C)cc(Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
STAT3 P40763 1/20 0.34
BACE1 P56817 7/20 0.34
CA14 Q9ULX7 1/20 0.33
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC7A5 Q01650 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
SCHEMBL3346038 0.82 TTR (0.35) BACE1KMT2A
SCHEMBL1424585 0.82 KMT2A (0.34) CA12CA1CA2CA9STAT3
SCHEMBL7874033 0.77 CA12 (0.30) CA12CA1CA2CA9CA14
SCHEMBL454678 0.77 ALDH1A1 (0.40) CA12CA1CA2CA9STAT3
SCHEMBL1425447 0.71 ALDH1A1 (0.39) CA12CA1CA2CA9STAT3
SCHEMBL30745045 0.71 TAS1R3 (0.36) CA12CA1CA2CA9STAT3
SCHEMBL20943921 0.71 TAS1R3 (0.36) CA12CA1CA2CA9STAT3
SCHEMBL2018841 0.71 KDM4E (0.42) CA12CA1CA2CA9CA14
SCHEMBL16114710 0.71 SYK (0.37) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL11456791 0.71 HRH4 (0.32) LMNA

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-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 WO disclosed