SCHEMBL7537015

SCHEMBL7537015

CCOC(=O)c1ccc(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)cc1.O=C(O)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.53
NPC1 O15118 2/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 7/20 0.53
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 6/20 0.53
LMNA P02545 5/20 0.53
KDM4E B2RXH2 3/20 0.53
CYP2C9 P11712 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
HPGD P15428 1/20 0.53
CRHBP P24387 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
CRHR2 Q13324 1/20 0.53
NOD2 Q9HC29 1/20 0.53
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL7533552 0.86 NR1H3 (0.57) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL7537235 0.86 ALDH1A1 (0.53) SMN1; SMN2KMT2AALDH1A1MEN1LMNA
SCHEMBL7532757 0.85 TSHR (0.65) SMN1; SMN2NPC1GAAKMT2AALDH1A1
SCHEMBL7534995 0.84 POLB (0.48) SMN1; SMN2RAB9AKMT2AALDH1A1MEN1
SCHEMBL7539015 0.79 LMNA (0.55) SMN1; SMN2NPC1GAARAB9AKMT2A
SCHEMBL7531331 0.79 DHODH (0.55) SMN1; SMN2GAAKMT2AALDH1A1MEN1
SCHEMBL7534382 0.79 CYP2C9 (0.55) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL7568445 0.78 MEN1 (0.53) SMN1; SMN2KMT2AALDH1A1MEN1KDM4E
SCHEMBL7539025 0.78 MEN1 (0.62) SMN1; SMN2RAB9AKMT2AALDH1A1MEN1
SCHEMBL7534349 0.78 ACLY (0.53) SMN1; SMN2GAARAB9AKMT2AALDH1A1

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