SCHEMBL6981241

SCHEMBL6981241

Nc1ccc(CC(=O)c2ncc[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 1/20 0.39
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL6037395 0.83 KMT2A (0.47) RAB9ANPC1KMT2AL3MBTL1
SCHEMBL6432858 0.82 KMT2A (0.46) RAB9ANPC1KMT2AL3MBTL1
SCHEMBL29938710 0.78 CYP26A1 (0.46) RAB9ANPC1KMT2AHDAC1
SCHEMBL11056041 0.77 PIK3CA (0.48) RAB9ANPC1KMT2A
SCHEMBL29938476 0.77 KMT2A (0.37) RAB9ANPC1KMT2AHDAC1
4-Aminophenol SCHEMBL2099615 0.73 NPC1 (0.50) RAB9ANPC1KMT2AHDAC1DYRK1B
SCHEMBL27352543 0.73
SCHEMBL30928341 0.73 PGR (0.40) RAB9ANPC1KMT2AL3MBTL1
SCHEMBL27702200 0.73 KMT2A (0.40) KMT2A
SCHEMBL29163121 0.73 NPC1 (0.47) RAB9ANPC1KMT2AHDAC1

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-1313732-A1 OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-05-28 EP disclosed
WO-2002020524-A1 OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-03-14 WO disclosed