SCHEMBL2170758

SCHEMBL2170758

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.35
TNF P01375 1/20 0.35
S100A4 P26447 2/20 0.35
PTPRC P08575 1/20 0.35

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
SCHEMBL2168338 0.91 CYP1A2 (0.43) CYP1A2TSHRMEN1KMT2AALOX15
SCHEMBL7857231 0.89 ALDH1A1 (0.41) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL29771892 0.89 ALDH1A1 (0.41) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL7850416 0.89 ALDH1A1 (0.41) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL2168054 0.89 ALDH1A1 (0.41) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL2168107 0.86 MAPT (0.41) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL869069 0.86 CYP1A2 (0.42) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL868635 0.86 CYP1A2 (0.37) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL7849174 0.85 KMT2A (0.36) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL2169199 0.82 KDM4E (0.42) MEN1KMT2AALDH1A1POLBALOX15

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 7 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
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