SCHEMBL6603893

SCHEMBL6603893

CCN(CC)CCOc1cc(NC(=O)c2sc(-c3ccccc3)nc2C)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.61
MET P08581 4/20 0.52
EGFR P00533 3/20 0.52
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2C P28335 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PARP1 P09874 1/20 0.46

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
SCHEMBL6602810 0.94 MCHR1 (0.54) MCHR1METEGFRMEN1POLB
SCHEMBL7723576 0.92 MAPT (0.53) MCHR1METEGFRMEN1POLB
SCHEMBL6609501 0.91 MEN1 (0.56) MCHR1METEGFRMEN1KMT2A
SCHEMBL6603843 0.89 NR1H4 (0.54) MCHR1MEN1KMT2ANPC1ALDH1A1
SCHEMBL6604936 0.89 MEN1 (0.53) MCHR1METEGFRMEN1KMT2A
SCHEMBL6602805 0.89 MCHR1 (0.62) MCHR1METEGFRMEN1POLB
SCHEMBL6604870 0.86 MAPT (0.52) MCHR1METEGFRMEN1POLB
SCHEMBL6602555 0.85 MAPT (0.52) MCHR1METEGFRMEN1POLB
SCHEMBL6605515 0.83 NR1H4 (0.53) MCHR1METMEN1KMT2ANPC1
SCHEMBL6603016 0.83 MCHR1 (0.62) MCHR1MEN1KMT2AHPGDNPC1

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