SCHEMBL9058745

SCHEMBL9058745

COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1ccc[nH]1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.69
PDE4B Q07343 1/20 0.69
PDE4C Q08493 1/20 0.69
PDE4D Q08499 1/20 0.69
KMT2A Q03164 5/20 0.61
MEN1 O00255 2/20 0.61
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.54
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.49
BRD4 O60885 1/20 0.49

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
SCHEMBL9054130 0.94 KMT2A (0.63) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL9053972 0.83 NPC1 (0.59) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7356297 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8588242 0.79 GPBAR1 (0.56) KMT2AMEN1LMNATSHRALDH1A1
SCHEMBL8540258 0.79 GPBAR1 (0.60) KMT2AMEN1LMNATSHRALDH1A1
SCHEMBL7394091 0.79 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8543576 0.78 MCOLN3 (0.58) LMNATSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7360537 0.78 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8539014 0.76 L3MBTL1 (0.51) LMNATSHRALDH1A1L3MBTL1
SCHEMBL8541489 0.76 KDM4E (0.60) LMNATSHRALDH1A1DRD2DRD3

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