SCHEMBL6165657

SCHEMBL6165657

CC(C)(C)OC(=O)N1CCN(c2ccccc2NC(=O)NN2CCOCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
USP2 O75604 1/20 0.47
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 2/20 0.46
KCNQ2 O43526 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
BACE1 P56817 4/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL1644755 0.83 POLB (0.54) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1646856 0.83 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL17276500 0.81 SMN1; SMN2 (0.62) SMN1; SMN2USP2NAMPTALDH1A1GAA
SCHEMBL17491558 0.81 NAMPT (0.52) SMN1; SMN2USP2NAMPTALDH1A1L3MBTL1
SCHEMBL1646819 0.80 APOBEC3A (0.57) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1645825 0.80 ALDH1A1 (0.56) SMN1; SMN2USP2ALDH1A1L3MBTL1MEN1
SCHEMBL5336322 0.80 ALDH1A1 (0.52) SMN1; SMN2USP2NAMPTALDH1A1L3MBTL1
SCHEMBL5337500 0.80 ALDH1A1 (0.67) USP2NAMPTALDH1A1MEN1KMT2A
SCHEMBL1643882 0.78 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5335920 0.78 BACE1 (0.49) SMN1; SMN2USP2NAMPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1417177-A4 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-10-19 EP disclosed
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
EP-1417177-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
WO-2003007883-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-01-30 WO 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
EP-1071668-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Du Pont Pharmaceuticals Company (US) 2001-01-31 EP disclosed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 WO disclosed