SCHEMBL9053909

SCHEMBL9053909

COc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
POLB P06746 1/20 0.58
APEX1 P27695 1/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2C9 P11712 1/20 0.51
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
ALDH1A1 P00352 2/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.48
CPT1A P50416 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CPT2 P23786 2/20 0.47
CPT1B Q92523 2/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL9048387 0.81 PDE4A (0.74) MAPTMEN1KMT2APDE4APDE4B
SCHEMBL14758405 0.78 NPC1 (1.00) NPC1POLBMAPTMEN1KMT2A
SCHEMBL9053972 0.78 NPC1 (0.59) NPC1POLBMAPTMEN1KMT2A
SCHEMBL16217090 0.76 NPC1 (0.74) NPC1POLBMAPTMEN1KMT2A
SCHEMBL8540322 0.75 POLB (0.73) POLBAPEX1MAPTMEN1KMT2A
SCHEMBL3000456 0.73 NPC1 (0.59) NPC1POLBMAPTMEN1KMT2A
SCHEMBL31750670 0.73 NPC1 (0.62) NPC1POLBMAPTMEN1KMT2A
SCHEMBL8544209 0.73 APEX1 (0.75) POLBAPEX1ALDH1A1TSHRLMNA
SCHEMBL8541971 0.73 APEX1 (0.75) POLBAPEX1ALDH1A1TSHRLMNA
SCHEMBL2995685 0.73 NPC1 (0.58) NPC1POLBMEN1KMT2ACYP2C9

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
EP-0734378-A1 AMINOSULPHONYL-PHENYL-1H-PYRROLE DERIVATIVES, METHOD OF THEIR PREPARATION AND THEIR USE SMITHKLINE BEECHAM PLC (GB) 1996-10-02 EP disclosed
WO-1995016674-A1 AMINOSULPHONYL-PHENYL-1H-PYRROLE DERIVATIVES, METHOD OF THEIR PREPARATION AND THEIR USE SMITHKLINE BEECHAM PLC (GB) 1995-06-22 WO disclosed