SCHEMBL7537253

SCHEMBL7537253

O=C(Nc1cccc(C(F)(F)F)c1)c1sccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 4/20 0.54
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SLC20A2 Q08357 1/20 0.52
SLC20A1 Q8WUM9 1/20 0.52
CCR2 P41597 1/20 0.51
CASP6 P55212 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
MAPT P10636 3/20 0.49
IDH1 O75874 1/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
XBP1 P17861 1/20 0.48

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
SCHEMBL7532778 0.93 SLC20A2 (0.54) IDH2KMT2AMEN1GAANPC1
SCHEMBL7530790 0.90 SLC20A2 (0.65) KMT2AMEN1GAANPC1RAB9A
SCHEMBL7538051 0.85 HTT (0.49) IDH2KMT2AMEN1NPC1RAB9A
SCHEMBL7533744 0.85 SLC20A2 (0.58) KMT2AMEN1GAANPC1RAB9A
SCHEMBL7562743 0.84 ACLY (0.52) IDH2KMT2AMEN1GAANPC1
SCHEMBL7531807 0.83 SLC20A2 (0.53) IDH2KMT2AMEN1GAASLC20A2
SCHEMBL7539041 0.82 MEN1 (0.53) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL1200684 0.82 PARP14 (0.62) KMT2AMEN1GAANPC1RAB9A
SCHEMBL7538096 0.81 RXFP1 (0.50) IDH2KMT2AMEN1GAANPC1
SCHEMBL7533632 0.80 HTT (0.46) IDH2KMT2AMEN1SLC20A2SLC20A1

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