SCHEMBL7533719

SCHEMBL7533719

CC(C)Oc1ccc(N)cc1.O=C(O)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
ACLY P53396 1/20 0.49
NRP1 O14786 2/20 0.44
KMT2A Q03164 2/20 0.41
KAT6A Q92794 2/20 0.41
KEAP1 Q14145 1/20 0.41
MEN1 O00255 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCL1 Q07820 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
SCHEMBL7533711 0.90 LMNA (0.49) LMNAHPGDTSHRACLYKMT2A
SCHEMBL7533715 0.84 LMNA (0.52) LMNAHPGDTSHRNRP1KMT2A
SCHEMBL7539018 0.83 LMNA (0.49) LMNAHPGDTSHRACLYNRP1
SCHEMBL7538001 0.83 ACLY (0.58) LMNAHPGDTSHRACLYKMT2A
SCHEMBL532975 0.81 ACLY (0.69) LMNAHPGDTSHRACLYKMT2A
SCHEMBL7537356 0.81 LMNA (0.47) LMNAHPGDTSHRACLYNRP1
Hydrochloric Acid SCHEMBL533067 0.80 ACLY (0.68) LMNAHPGDTSHRACLYKMT2A
SCHEMBL7531722 0.80 LMNA (0.55) LMNAHPGDTSHRACLYKMT2A
SCHEMBL7530793 0.78 LMNA (0.80) LMNAHPGDTSHRACLYKMT2A
Sulfathiazole SCHEMBL7533713 0.77 LMNA (0.67) LMNATSHRACLYKMT2AMEN1

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-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO disclosed