SCHEMBL7533705

SCHEMBL7533705

NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C(O)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.56
CYP3A4 P08684 1/20 0.53
PTGS1 P23219 1/20 0.53
LMNA P02545 4/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP2C9 P11712 1/20 0.52
EDNRA P25101 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
SCN9A Q15858 2/20 0.51
SCN1A P35498 1/20 0.51
SCN4A P35499 1/20 0.51
SCN5A Q14524 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN8A Q9UQD0 1/20 0.51

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
Sulfathiazole SCHEMBL7533713 0.89 LMNA (0.67) SCN3ACYP3A4PTGS1LMNAALDH1A1
SCHEMBL3278437 0.85 ALDH1A1 (0.69) SCN3ALMNAALDH1A1KDM4ECYP2C9
SCHEMBL7530791 0.83 POLB (0.56) SCN3ACYP3A4PTGS1LMNAALDH1A1
SCHEMBL7533710 0.81 CYP3A4 (0.70) SCN3ACYP3A4PTGS1LMNAALDH1A1
SCHEMBL532975 0.80 ACLY (0.69) CYP3A4LMNAALDH1A1KDM4EMEN1
SCHEMBL3130823 0.79 ALDH1A1 (0.67) SCN3ACYP3A4PTGS1LMNAALDH1A1
Hydrochloric Acid SCHEMBL533067 0.79 ACLY (0.68) CYP3A4LMNAALDH1A1KDM4EMEN1
SCHEMBL7531142 0.79 POLB (0.59) SCN3ACYP3A4PTGS1LMNAALDH1A1
SCHEMBL7539012 0.79 LMNA (0.47) LMNASMN1; SMN2POLBACLYTSHR
SCHEMBL7533711 0.78 LMNA (0.49) LMNAALDH1A1MEN1KMT2APOLB

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