SCHEMBL6603549

SCHEMBL6603549

CCN(CC)CCOc1cc(NC(=O)c2cccs2)ccc1OC

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.69
RAB9A P51151 6/20 0.60
MEN1 O00255 5/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
TP53 P04637 3/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
MCHR1 Q99705 2/20 0.60
MAPT P10636 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
THRB P10828 1/20 0.53
HTT P42858 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL6605524 0.93 KMT2A (0.68) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL6603180 0.89 KMT2A (0.72) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL6605517 0.87 KMT2A (0.68) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL28147926 0.83 KMT2A (1.00) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL6926140 0.80 MCHR1 (0.72) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL6608917 0.79 TSHR (0.60) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL6925692 0.79 MCHR1 (0.92) MCHR1
SCHEMBL6923947 0.79 MCHR1 (0.66) ALDH1A1LMNAMCHR1POLB
SCHEMBL6925370 0.79 MCHR1 (0.71) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL6923988 0.79 MCHR1 (0.71) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP claimed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP claimed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed