SCHEMBL7534244

SCHEMBL7534244

Cc1ccc(F)cc1S(=O)(=O)Nc1ccsc1C(=O)Nc1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 4/20 0.59
MAPK1 P28482 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
IDH1 O75874 10/20 0.53
LMNA P02545 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.48
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL7532788 0.90 MAPT (0.61) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL7535082 0.88 HTT (0.49) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL7537162 0.88 MAPT (0.57) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL7534376 0.85 L3MBTL1 (0.52) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL7537394 0.84 SLC10A2 (0.53) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL7538991 0.84 HTT (0.51) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL7538848 0.83 ACLY (0.52) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL7538739 0.83 MEN1 (0.49) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL7531361 0.82 L3MBTL1 (0.53) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL7532800 0.82 HTT (0.53) MEN1KMT2AMAPTMAPK1SMN1; SMN2

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