SCHEMBL8540314

SCHEMBL8540314

COc1ccc(S(=O)(=O)c2ccccc2)cc1-c1ccc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTR6 P50406 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 11/20 0.41
DRD3 P35462 11/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SFRP1 Q8N474 1/20 0.39
CDK2 P24941 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL8846873 0.84 DRD2 (0.49) DRD2DRD3GAACDK2ALDH1A1
SCHEMBL8544972 0.82 DRD2 (0.56) DRD2DRD3
SCHEMBL9053174 0.82 CA12 (0.64) TSHRMAPK1MEN1KMT2ADRD2
SCHEMBL8542006 0.82 DRD2 (0.50) DRD2DRD3ALDH1A1
SCHEMBL9053622 0.81 DRD2 (0.50) POLBKMT2ADRD2DRD3KDM4E
SCHEMBL8543692 0.81 DRD2 (0.45) POLBTSHRMAPK1DRD2DRD3
SCHEMBL8544314 0.81 MAPT (0.54) POLBMAPK1MEN1KMT2ADRD2
SCHEMBL8588242 0.80 GPBAR1 (0.56) TSHRMEN1KMT2AKDM4EGAA
SCHEMBL9053373 0.79 DRD2 (0.50) POLBMAPK1MEN1KMT2ADRD2
SCHEMBL8543576 0.79 MCOLN3 (0.58) TSHRKDM4EGAAALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0654023-B1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-16 EP disclosed
EP-0705259-B1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-02-25 EP disclosed
US-5523299-A ADMINISTERING IN TREATMENT OF PSYCHOTIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 1996-06-04 US disclosed
EP-0705259-A1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-10 EP disclosed
EP-0654023-A1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-05-24 EP disclosed
WO-1995000508-A1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-05 WO disclosed
WO-1994003426-A1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-02-17 WO disclosed