SCHEMBL7533688

SCHEMBL7533688

O=C(Nc1ccc2ncccc2c1)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.56
NAMPT P43490 2/20 0.55
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
BCAT1 P54687 1/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 7/20 0.49
RAB9A P51151 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 3/20 0.49
MAPT P10636 3/20 0.49
GRM4 Q14833 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PFKFB3 Q16875 1/20 0.45

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
SCHEMBL7534407 0.86 LMNA (0.56) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL7534349 0.83 ACLY (0.53) ALDH1A1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL7531709 0.81 SLC40A1 (0.65) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7531380 0.80 HTT (0.52) PABPC1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7531704 0.80 ALDH1A1 (0.57) NAMPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7533710 0.79 CYP3A4 (0.70) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7537204 0.79 MAPT (0.51) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL7537030 0.79 MAPT (0.53) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL7560629 0.79 NPC1 (0.48) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL7531331 0.78 DHODH (0.55) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A

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