SCHEMBL7821755

SCHEMBL7821755

O=C(O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
CA2 P00918 6/20 0.65
CA1 P00915 5/20 0.65
CA12 O43570 2/20 0.64
CA9 Q16790 2/20 0.64
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 2/20 0.58
GAA P10253 2/20 0.58
MEN1 O00255 2/20 0.58
THRB P10828 1/20 0.58
MAPK1 P28482 1/20 0.58
PTK6 Q13882 1/20 0.56
MAOB P27338 1/20 0.56
EGFR P00533 2/20 0.54
LCK P06239 1/20 0.52
TSHR P16473 1/20 0.51
FNTA P49354 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
SCHEMBL7821757 1.00 LMNA (0.67) LMNASMN1; SMN2CA2CA1CA12
SCHEMBL9404117 0.85 EGFR (0.71) CA2CA1KMT2AMEN1MAOB
SCHEMBL20334064 0.85 EGFR (0.71) CA2CA1KMT2AMEN1MAOB
SCHEMBL30342737 0.85 LMNA (0.55) LMNASMN1; SMN2CA2CA1CA12
SCHEMBL15600629 0.83 CA1 (0.73) LMNASMN1; SMN2CA2CA1CA12
SCHEMBL12416679 0.83 SMN1; SMN2 (0.71) LMNASMN1; SMN2CA2CA1CA12
SCHEMBL14103565 0.83 SMN1; SMN2 (0.77) LMNASMN1; SMN2CA2CA1CA12
SCHEMBL10637987 0.82 ALDH1A1 (0.67) LMNASMN1; SMN2CA2CA1CA12
SCHEMBL10637996 0.82 ALDH1A1 (0.67) LMNASMN1; SMN2CA2CA1CA12
SCHEMBL1527094 0.80 SMN1; SMN2 (0.72) LMNASMN1; SMN2CA2CA1CA12

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