SCHEMBL7828471

SCHEMBL7828471

O=C(O)c1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.76
L3MBTL1 Q9Y468 3/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
ALDH1A1 P00352 2/20 0.76
MAPT P10636 2/20 0.76
GAA P10253 1/20 0.76
THRB P10828 1/20 0.76
PKM P14618 1/20 0.76
CASP3 P42574 1/20 0.76
RECQL P46063 1/20 0.76
BLM P54132 1/20 0.76
PLEC Q15149 1/20 0.76
SENP8 Q96LD8 1/20 0.76
SENP7 Q9BQF6 1/20 0.76
SENP6 Q9GZR1 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.69
NR4A1 P22736 1/20 0.68
NR4A2 P43354 1/20 0.68
NR4A3 Q92570 1/20 0.68

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
SCHEMBL7828469 1.00 KDM4E (0.76) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL13980482 0.86 KDM4E (0.83) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7767009 0.83 NR4A2 (0.81) MEN1KMT2ASMN1; SMN2NR4A1NR4A2
SCHEMBL6830467 0.83 NR4A2 (1.00) MEN1KMT2APKMSMN1; SMN2NR4A1
SCHEMBL4059143 0.83 NR4A2 (1.00) MEN1KMT2APKMSMN1; SMN2NR4A1
SCHEMBL228477 0.83 NR4A2 (1.00) MEN1KMT2APKMSMN1; SMN2NR4A1
SCHEMBL8806871 0.82 KDM4E (0.77) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL8806870 0.82 KDM4E (0.77) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL525302 0.82 KDM4E (0.77) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1032816 0.82 KDM4E (0.77) KDM4EL3MBTL1MEN1KMT2AALDH1A1

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