SCHEMBL1644843

SCHEMBL1644843

COc1ccccc1NC(=O)CN1CCN(C)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.79
ALDH1A1 P00352 5/20 0.78
RECQL P46063 1/20 0.75
KMT2A Q03164 7/20 0.73
MEN1 O00255 6/20 0.73
NPSR1 Q6W5P4 4/20 0.71
RAB9A P51151 1/20 0.70
TSHR P16473 3/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
MAPT P10636 2/20 0.69
SMN1; SMN2 Q16637 3/20 0.67
USP2 O75604 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
HTT P42858 1/20 0.67
POLB P06746 1/20 0.67
LMNA P02545 1/20 0.67
KDM4E B2RXH2 1/20 0.65

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
SCHEMBL6175296 0.90 ALDH1A1 (0.74) L3MBTL1ALDH1A1RECQLKMT2AMEN1
SCHEMBL1644836 0.89 ALDH1A1 (0.97) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL6170356 0.88 ALDH1A1 (0.73) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL6169872 0.88 ALDH1A1 (0.76) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL1646961 0.88 ALDH1A1 (1.00) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL8720632 0.87 MEN1 (0.69) L3MBTL1ALDH1A1RECQLKMT2AMEN1
SCHEMBL1646962 0.85 ALDH1A1 (0.76) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL1646834 0.85 ALDH1A1 (0.76) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL1643927 0.85 ALDH1A1 (0.76) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL4820185 0.82 RAD52 (0.67) L3MBTL1ALDH1A1RECQLKMT2AMEN1

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
JP-4665239-B2 2011-04-06 JP 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
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
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