SCHEMBL8540322

SCHEMBL8540322

COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.73
LMNA P02545 2/20 0.70
KDM4E B2RXH2 1/20 0.70
APEX1 P27695 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.65
MAPT P10636 1/20 0.64
ALDH1A1 P00352 1/20 0.63
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.61
PKM P14618 1/20 0.61
GAA P10253 1/20 0.58

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
SCHEMBL8544209 0.88 APEX1 (0.75) POLBLMNAAPEX1ALDH1A1
SCHEMBL8541971 0.88 APEX1 (0.75) POLBLMNAAPEX1ALDH1A1
SCHEMBL1001249 0.87 APEX1 (0.73) POLBAPEX1ALDH1A1KMT2A
SCHEMBL1645604 0.86 APEX1 (0.72) POLBLMNAKDM4EAPEX1MAPT
SCHEMBL8540145 0.85 APEX1 (0.70) POLBLMNAAPEX1SMN1; SMN2KMT2A
SCHEMBL7427480 0.84 MAPT (0.66) POLBLMNAKDM4EAPEX1SMN1; SMN2
SCHEMBL29483631 0.84 KDM4E (0.77) POLBLMNAKDM4EALDH1A1PKM
SCHEMBL34615 0.83 MEN1 (0.73) POLBLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL19667171 0.83 HSD17B10 (0.77) POLBLMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL8262953 0.81 ALDH1A1 (0.76) POLBLMNAKDM4EAPEX1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705259-B1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-02-25 EP disclosed
EP-0741721-A1 PHENYLPYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-11-13 EP disclosed
EP-0705259-A1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-10 EP disclosed
WO-1995021165-A1 PHENYLPYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-10 WO disclosed
WO-1995000508-A1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-05 WO disclosed