SCHEMBL6605517

SCHEMBL6605517

COc1ccc(NC(=O)c2cccs2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
MCHR1 Q99705 12/20 0.61
HTR2C P28335 1/20 0.61
MEN1 O00255 3/20 0.59
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 2/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL6603180 0.89 KMT2A (0.72) KMT2AMCHR1MEN1ALDH1A1RAB9A
SCHEMBL6603549 0.87 KMT2A (0.69) KMT2AMCHR1MEN1ALDH1A1RAB9A
SCHEMBL6605524 0.86 KMT2A (0.68) KMT2AMCHR1MEN1ALDH1A1RAB9A
SCHEMBL6604265 0.85 MCHR1 (0.70) KMT2AMCHR1HTR2CMEN1ALDH1A1
SCHEMBL6603130 0.83 MCHR1 (0.71) MCHR1HTR2C
SCHEMBL6925443 0.83 MCHR1 (0.81) MCHR1HTR2C
SCHEMBL7618386 0.82 SLC2A1 (0.64) KMT2AMCHR1HTR2CMEN1ALDH1A1
SCHEMBL7618392 0.82 SLC2A1 (0.64) KMT2AMCHR1HTR2CMEN1ALDH1A1
SCHEMBL28147926 0.82 KMT2A (1.00) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL6602070 0.82 MCHR1 (0.67) MCHR1HTR2CTP53SMN1; SMN2MAPT

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