SCHEMBL2168338

SCHEMBL2168338

O=C(O)CC(C(=O)O)N1Cc2c(cccc2[N+](=O)[O-])C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
ALOX15 P16050 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KMO O15229 1/20 0.38
LPAR3 Q9UBY5 1/20 0.37
ATM Q13315 1/20 0.36
PTPRC P08575 1/20 0.36
S100A4 P26447 1/20 0.36
STAT3 P40763 1/20 0.36

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
SCHEMBL2170758 0.91 CYP1A2 (0.39) CYP1A2TSHRALOX15MAPTSMN1; SMN2
SCHEMBL2168107 0.91 MAPT (0.41) CYP1A2TSHRALOX15MAPTSMN1; SMN2
SCHEMBL7858314 0.88 KDM4E (0.48) CYP1A2TSHRALOX15MAPTSMN1; SMN2
SCHEMBL7861210 0.88 KDM4E (0.48) CYP1A2TSHRALOX15MAPTSMN1; SMN2
SCHEMBL2169248 0.88 KDM4E (0.48) CYP1A2TSHRALOX15MAPTSMN1; SMN2
SCHEMBL869069 0.88 CYP1A2 (0.42) CYP1A2TSHRMAPTMEN1KMT2A
SCHEMBL2169199 0.84 KDM4E (0.42) ALOX15MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL29771892 0.82 ALDH1A1 (0.41) ALOX15MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL7850416 0.82 ALDH1A1 (0.41) ALOX15MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL7857231 0.82 ALDH1A1 (0.41) ALOX15MAPTSMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4728487-B2 2011-07-20 JP claimed
JP-2002539197-A 2002-11-19 JP 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
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