SCHEMBL1645825

SCHEMBL1645825

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KCNQ2 O43526 2/20 0.52
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
USP2 O75604 1/20 0.48
TSHR P16473 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47

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 0.87 POLB (0.54) ALDH1A1KMT2AMEN1L3MBTL1KCNQ2
SCHEMBL1646819 0.84 APOBEC3A (0.57) ALDH1A1KMT2AMEN1L3MBTL1KCNQ2
SCHEMBL1643882 0.82 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1L3MBTL1KCNQ2
SCHEMBL6165657 0.80 SMN1; SMN2 (0.47) ALDH1A1KMT2AMEN1L3MBTL1KCNQ2
SCHEMBL20910885 0.78 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1L3MBTL1KCNQ2
SCHEMBL18711850 0.77 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1L3MBTL1KCNQ2
SCHEMBL1646856 0.76 SMN1; SMN2 (0.53) ALDH1A1KMT2AMEN1L3MBTL1KCNQ2
SCHEMBL9555514 0.73 POLB (0.69) ALDH1A1KMT2AMEN1L3MBTL1KCNQ2
SCHEMBL20911012 0.72 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1L3MBTL1KCNQ2
SCHEMBL4326786 0.71 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1L3MBTL1KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4665239-B2 2011-04-06 JP claimed
JP-2002512230-A 2002-04-23 JP claimed
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-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 claimed
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 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
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