SCHEMBL7539008

SCHEMBL7539008

COc1ccc(S(=O)(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cc2)cc1.O=C(Nc1ccc(Cl)cc1)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
PPIA P62937 1/20 0.55
AVPR2 P30518 3/20 0.54
GPR27 Q9NS67 3/20 0.54
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 5/20 0.53
MAPK1 P28482 3/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 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
SCHEMBL7537998 0.92 PGR (0.55) LMNAHPGDTSHRAVPR2GPR27
SCHEMBL7539025 0.92 MEN1 (0.62) LMNATSHRAVPR2GPR27MEN1
SCHEMBL7532539 0.90 LMNA (0.53) LMNAHPGDTSHRPPIAAVPR2
SCHEMBL7560628 0.90 LMNA (0.63) LMNAHPGDTSHRAVPR2GPR27
SCHEMBL7538011 0.88 LMNA (0.55) LMNAHPGDTSHRAVPR2GPR27
SCHEMBL7533017 0.87 LMNA (0.53) LMNAHPGDTSHRAVPR2GPR27
SCHEMBL7534436 0.86 LMNA (0.60) LMNAHPGDTSHRAVPR2GPR27
SCHEMBL7537988 0.84 LMNA (0.61) LMNAHPGDTSHRAVPR2GPR27
SCHEMBL7533715 0.84 LMNA (0.52) LMNAHPGDTSHRAVPR2GPR27
SCHEMBL7537216 0.83 ALDH1A1 (0.58) LMNAHPGDTSHRAVPR2GPR27

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 claimed