SCHEMBL6879221

SCHEMBL6879221

CC(=O)c1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.54
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC6A4 P31645 7/20 0.47
HASPIN Q8TF76 1/20 0.46
IDO1 P14902 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
HTR6 P50406 2/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
NR4A2 P43354 1/20 0.43
HTR1A P08908 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL1434181 0.87 F7 (0.58) KDM4ESLC6A4IDO1F7F3
SCHEMBL3631475 0.84 ALDH1A1 (0.54) SLC6A4IDO1L3MBTL1F7F3
SCHEMBL9937045 0.84 NR4A2 (0.65) SLC6A4LMNARAB9ANR4A2
SCHEMBL26054532 0.84 L3MBTL1 (0.48) SLC6A4IDO1L3MBTL1F7F3
SCHEMBL7464145 0.82 SLC6A4 (0.49) SLC6A4HTR6HTR1ADRD1SLC6A2
SCHEMBL20846196 0.82 HTR6 (0.46) PBRM1KDM4EHSD17B10SLC6A4HTR6
SCHEMBL12782163 0.82 F7 (0.45) SLC6A4IDO1F7F3HTR6
SCHEMBL7386532 0.82 IDO1 (0.43) SLC6A4IDO1L3MBTL1F7F3
SCHEMBL8808423 0.82 LMNA (0.62) SLC6A4IDO1F7F3HTR6
SCHEMBL2076915 0.81 IDO1 (0.46) SLC6A4IDO1HTR6HTR1ADRD1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1155568-C Method for producing 3-alkanoylindoles and 3-alkylindoles Ĭ��ר���ɷ����޹�˾ 2004-06-30 CN disclosed
EP-1140824-B1 METHOD FOR PRODUCING 3-ALKANOYLINDOLES AND 3-ALKYLINDOLES MERCK PATENT GMBH (DE) 2004-05-19 EP disclosed
US-6509475-B1 Friedel-Crafts acylation catalyzed by Lewis acid alkylaluminum dichloride; chemical reduction, salt formation MERCK PATENT GMBH (DE) 2003-01-21 US disclosed
CN-1330635-A Method for producing 3-alkanoylindoles and 3-alkylindoles MERCK PATENT GMBH (DE) 2002-01-09 CN disclosed
EP-1140824-A1 METHOD FOR PRODUCING 3-ALKANOYLINDOLES AND 3-ALKYLINDOLES MERCK PATENT GmbH (DE) 2001-10-10 EP disclosed
WO-2000035872-A1 METHOD FOR PRODUCING 3-ALKANOYLINDOLES AND 3-ALKYLINDOLES MERCK PATENT GMBH (DE) 2000-06-22 WO disclosed