SCHEMBL5074347

SCHEMBL5074347

Cc1cc(N2CCN(CC=O)CC2)cc([N+](=O)[O-])c1N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
MAPT P10636 10/20 0.40
SIRT6 Q8N6T7 2/20 0.40
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
RAD52 P43351 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL18131826 0.86 GAA (0.52) HPGDMAPTSIRT6LMNAGAA
SCHEMBL5077254 0.81 GAA (0.46) MAPTSIRT6GAARAD52HTR1A
SCHEMBL18134044 0.80 HPGD (0.64) HPGDMAPTSIRT6LMNAALDH1A1
SCHEMBL27584379 0.79 HPGD (0.41) HPGDMAPTSIRT6LMNAALDH1A1
SCHEMBL5135273 0.78 MAPT (0.55) HPGDMAPTLMNAALDH1A1L3MBTL1
SCHEMBL5378281 0.77 MAPT (0.48) HPGDMAPTSIRT6LMNAGAA
SCHEMBL27584378 0.74 HPGD (0.41) HPGDMAPTSIRT6LMNAGAA
SCHEMBL3345243 0.72 ALDH1A1 (0.40) MAPTLMNAGAADRD2ALDH1A1
SCHEMBL15994494 0.72 MAPT (0.46) HPGDMAPTSIRT6LMNAHTR1A
SCHEMBL15994800 0.72 SIRT6 (0.69) HPGDMAPTSIRT6LMNAALDH1A1

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
EP-1381598-A4 NOVEL TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-19 EP disclosed
EP-1651611-A2 BENZIMIDAZOLE C-2 HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-05-03 EP disclosed
EP-1545543-A2 NOVEL TYROSINE KINASES INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
EP-1545529-A2 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
WO-2005021510-A2 BENZIMIDAZOLE C-2 HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
WO-2004031401-A2 NOVEL TYROSINE KINASES INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
WO-2004030620-A2 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
EP-1381598-A1 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-21 EP disclosed
WO-2002079192-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed