SCHEMBL2167750

SCHEMBL2167750

O=C(O)CCC(C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
MAPK1 P28482 2/20 0.64
KDM4E B2RXH2 1/20 0.64
TP53 P04637 1/20 0.64
GLA P06280 1/20 0.64
POLB P06746 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
HPGD P15428 1/20 0.64
ALOX12 P18054 1/20 0.64
NFKB1 P19838 1/20 0.64
APEX1 P27695 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TNF P01375 1/20 0.48
ATM Q13315 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.42
S100A4 P26447 2/20 0.42

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
SCHEMBL15930057 1.00 ALDH1A1 (0.64) ALDH1A1MAPK1KDM4ETP53GLA
SCHEMBL6268629 0.93 ALDH1A1 (0.54) ALDH1A1MAPK1KDM4ETP53GLA
SCHEMBL2168112 0.91 ALDH1A1 (0.51) ALDH1A1MAPK1KDM4ETP53GLA
SCHEMBL2168623 0.91 MEN1 (0.54) ALDH1A1MAPK1KDM4ETP53GLA
SCHEMBL2282489 0.91 MEN1 (0.54) ALDH1A1MAPK1KDM4ETP53GLA
SCHEMBL2282582 0.91 MEN1 (0.54) ALDH1A1MAPK1KDM4ETP53GLA
SCHEMBL29790477 0.91 MEN1 (0.54) ALDH1A1MAPK1KDM4ETP53GLA
SCHEMBL6260167 0.88 TNF (0.53) ALDH1A1MAPK1KDM4ETP53GLA
SCHEMBL8534121 0.86 TNF (0.49) ALDH1A1MAPK1KDM4ETP53GLA
SCHEMBL15930064 0.84 TNF (0.47) ALDH1A1MAPK1KDM4ETP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4728487-B2 2011-07-20 JP claimed
EP-1163219-B1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORP (US) 2005-10-12 EP claimed
JP-2002539197-A 2002-11-19 JP claimed
US-6380239-B1 FOR THERAPY OF ARTHRITIS, RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, REPERFUSION INJURY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, ULCERATIVE COLITIS, SYSTEMIC LUPUS ERYTHREMATOSIS, SCLERODERMA, APHTHOUS ULCERS, ASTHMA CELGENE CORPORATION 2002-04-30 US claimed
EP-1163219-A1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORPORATION (US) 2001-12-19 EP claimed
WO-2000055134-A1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORPORATION (US) 2000-09-21 WO claimed
EP-1163219-B1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORP (US) 2005-10-12 EP disclosed
US-6380239-B1 FOR THERAPY OF ARTHRITIS, RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, REPERFUSION INJURY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, ULCERATIVE COLITIS, SYSTEMIC LUPUS ERYTHREMATOSIS, SCLERODERMA, APHTHOUS ULCERS, ASTHMA CELGENE CORPORATION 2002-04-30 US disclosed
CN-1342146-A Substituted 1-oxo-and 1, 3-dioxoisoindolines and their use in pharmaceutical compositions for reducing inflammatory cytokine levels CELGENE CORP (US) 2002-03-27 CN disclosed
EP-1163219-A1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORPORATION (US) 2001-12-19 EP disclosed
WO-2000055134-A1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORPORATION (US) 2000-09-21 WO disclosed