SCHEMBL1646812

SCHEMBL1646812

NNC(=O)Nc1ccccc1N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.51
CHEK1 O14757 17/20 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
SCHEMBL1646808 0.86 CHEK1 (0.55) CHEK1
SCHEMBL7537046 0.82 CHEK1 (0.54) NPSR1MAPTL3MBTL1CHEK1
SCHEMBL14356004 0.82 KCNQ2 (0.55) NPSR1MAPTL3MBTL1GAACHEK1
SCHEMBL5558994 0.81 POLB (0.66) NPSR1MAPTL3MBTL1GAACHEK1
SCHEMBL5563711 0.79 SMN1; SMN2 (0.72) NPSR1MAPTGAACHEK1
SCHEMBL1643882 0.79 ALDH1A1 (0.51) NPSR1L3MBTL1
SCHEMBL14356002 0.78 CHEK1 (0.54) NPSR1MAPTL3MBTL1GAACHEK1
SCHEMBL7833448 0.78 CHEK1 (0.50) NPSR1L3MBTL1GAACHEK1
SCHEMBL6991512 0.76 CHEK1 (0.49) NPSR1MAPTL3MBTL1GAACHEK1
SCHEMBL20910885 0.75 ALDH1A1 (0.68) NPSR1MAPTL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4665239-B2 2011-04-06 JP claimed
CN-1553900-A Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents ��ʱ��ʩ����ҩ��˾ 2004-12-08 CN disclosed
CN-1297442-A 5-aminoindeno [1,2-c] pyrazol-4-ones as anti-cancer and anti-proliferative agents DU PONT PHARM CO (US) 2001-05-30 CN disclosed