SCHEMBL7538971

SCHEMBL7538971

COC(=O)c1sccc1NC(=O)c1sccc1NS(=O)(=O)c1ccccc1.O=C(Nc1cccc2nsnc12)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
MAPT P10636 5/20 0.57
KDM4E B2RXH2 4/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 4/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC10A6 Q3KNW5 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
SCHEMBL7569455 0.92 KDM4E (0.67) KMT2AMEN1MAPTKDM4EPKM
SCHEMBL7537945 0.86 HPGD (0.67) KMT2AMEN1MAPTKDM4EHPGD
SCHEMBL532885 0.80 LMNA (0.78) KMT2AMEN1MAPTHPGDLMNA
SCHEMBL7531858 0.76 KMT2A (0.55) KMT2AMEN1MAPTKDM4EHPGD
SCHEMBL7185869 0.75 MAPT (1.00) KMT2AMEN1MAPTKDM4EPKM
SCHEMBL7531709 0.75 SLC40A1 (0.65) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL7537973 0.74 LMNA (0.46) KMT2AMEN1MAPTHPGDLMNA
SCHEMBL7533940 0.74 RAB9A (0.56) KMT2AMEN1MAPTKDM4EPKM
SCHEMBL7531380 0.74 HTT (0.52) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL7530810 0.73 ALDH1A1 (0.58) KMT2AMEN1KDM4EPKMHPGD

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