SCHEMBL6257316

SCHEMBL6257316

Nc1cccc2c1C(=O)N(C(CC(=O)O)C(=O)O)C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
POLB P06746 3/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
NFKB1 P19838 1/20 0.51
APEX1 P27695 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.49
TNF P01375 1/20 0.48
HSPA1A P0DMV8 1/20 0.44
PABPC1 P11940 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.42
AADAT Q8N5Z0 1/20 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
SCHEMBL2169473 0.90 TNF (0.50) KDM4EALDH1A1POLBMAPK1TP53
SCHEMBL6259763 0.90 ALDH1A1 (0.52) KDM4EALDH1A1POLBMAPK1TP53
SCHEMBL6255737 0.87 POLB (0.50) KDM4EALDH1A1POLBMAPK1TP53
SCHEMBL6261277 0.86 ALDH1A1 (0.72) KDM4EALDH1A1POLBMAPK1TP53
SCHEMBL10693046 0.86 ALDH1A1 (0.49) KDM4EALDH1A1POLBMAPK1TP53
SCHEMBL6271142 0.84 ALDH1A1 (0.60) KDM4EALDH1A1POLBMAPK1TP53
SCHEMBL31259788 0.83 ALDH1A1 (0.47) KDM4EALDH1A1POLBMAPK1TP53
SCHEMBL6258752 0.83 POLB (0.49) KDM4EALDH1A1POLBMAPK1TP53
SCHEMBL512529 0.83 ALDH1A1 (0.71) KDM4EALDH1A1POLBMAPK1TP53
SCHEMBL7288420 0.83 ALDH1A1 (0.71) KDM4EALDH1A1POLBMAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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