SCHEMBL9054130

SCHEMBL9054130

COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1-c1ccc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.63
PDE4A P27815 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
DRD2 P14416 1/20 0.57
DRD3 P35462 1/20 0.57
TSHR P16473 3/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
MEN1 O00255 3/20 0.55
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
LMNA P02545 2/20 0.54
ATM Q13315 1/20 0.53
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL9058745 0.94 PDE4A (0.69) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL8325887 0.83 PDE4A (0.86) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL9053972 0.81 NPC1 (0.59) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL8540258 0.80 GPBAR1 (0.60) KMT2ATSHRMCOLN3MEN1LMNA
SCHEMBL8588242 0.80 GPBAR1 (0.56) KMT2ATSHRMCOLN3MEN1LMNA
SCHEMBL8543576 0.79 MCOLN3 (0.58) TSHRMCOLN3LMNAATMALDH1A1
SCHEMBL17049204 0.78 KMT2A (0.74) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL6187575 0.77 KMT2A (0.67) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL31058476 0.77 KMT2A (0.69) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7356297 0.76 PDE4A (1.00) KMT2APDE4APDE4BPDE4CPDE4D

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