SCHEMBL7828249

SCHEMBL7828249

O=C(O)CCCC(=O)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ALDH1A1 P00352 2/20 0.68
POLB P06746 1/20 0.68
HPGD P15428 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.62
GAA P10253 2/20 0.62
EGFR P00533 2/20 0.61
ERBB3 P21860 1/20 0.61
LTA4H P09960 2/20 0.60
HDAC4 P56524 7/20 0.60
HDAC1 Q13547 7/20 0.60
HDAC7 Q8WUI4 7/20 0.60
HDAC11 Q96DB2 7/20 0.60
HDAC8 Q9BY41 7/20 0.60
HDAC6 Q9UBN7 7/20 0.60
HDAC9 Q9UKV0 7/20 0.60
HDAC5 Q9UQL6 7/20 0.60
HDAC3 O15379 6/20 0.60

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
SCHEMBL3806017 0.93 MEN1 (0.73) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL18660195 0.91 MAPT (0.74) MAPTALDH1A1HPGDGAAEGFR
SCHEMBL19353947 0.89 L3MBTL1 (0.77) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL6766490 0.89 L3MBTL1 (0.77) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL1060805 0.89 HDAC4 (0.73) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL7107371 0.89 POLB (0.82) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL1064861 0.87 HDAC4 (0.77) MAPTMEN1KMT2AL3MBTL1EGFR
SCHEMBL312344 0.87 HDAC4 (0.77) MAPTMEN1KMT2AL3MBTL1EGFR
SCHEMBL12112926 0.87 MAPT (0.79) MAPTALDH1A1POLBHPGDL3MBTL1
SCHEMBL6296181 0.87 HDAC4 (0.75) MAPTL3MBTL1GAAEGFRLTA4H

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