SCHEMBL7823786

SCHEMBL7823786

O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.55
PTPN1 P18031 1/20 0.54
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
TTR P02766 1/20 0.49
ALB P02768 1/20 0.49
THRB P10828 1/20 0.49
ALDH3A1 P30838 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 4/20 0.47
HSPB1 P04792 1/20 0.47
PDE7A Q13946 1/20 0.46
EPAS1 Q99814 1/20 0.45
POLB P06746 1/20 0.45
HTR6 P50406 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NSD2 O96028 1/20 0.44

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
SCHEMBL15067835 0.85 TDP1 (0.55) HPSEPTPN1MEN1KMT2ATDP1
SCHEMBL15067191 0.85 PTPN1 (0.54) HPSEPTPN1MEN1KMT2ATDP1
SCHEMBL17374551 0.83 PTPN1 (0.52) HPSEPTPN1MEN1KMT2ATDP1
SCHEMBL7522323 0.81 POLB (0.47) PTPN1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7522329 0.81 POLB (0.47) PTPN1MEN1KMT2ATDP1ALDH1A1
SCHEMBL28883035 0.81 SMN1; SMN2 (0.47) TTRPOLBLMNASMN1; SMN2TSHR
SCHEMBL15646828 0.81 PGR (0.60) PTPN1MEN1KMT2ATDP1ALDH1A1
SCHEMBL10416626 0.80 HPSE (0.59) HPSEPTPN1MEN1KMT2ATDP1
SCHEMBL7813399 0.78 MEN1 (0.72) HPSEMEN1KMT2ATDP1TTR
SCHEMBL11244365 0.78 ALDH1A1 (0.58) MEN1KMT2ATDP1ALDH1A1HPGD

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed