SCHEMBL6693216

SCHEMBL6693216

O=C(O)C(c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
S100A4 P26447 2/20 0.48
PTPRC P08575 1/20 0.48
LMNA P02545 1/20 0.47
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA4 P22748 1/20 0.43
KDM4E B2RXH2 2/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
XIAP P98170 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL19359510 0.82 KMT2A (0.50) TNFATMMEN1KMT2AS100A4
SCHEMBL6925259 0.82 LMNA (0.52) TNFATMMEN1KMT2AS100A4
SCHEMBL7736757 0.82 LMNA (0.52) TNFATMMEN1KMT2AS100A4
SCHEMBL6925120 0.82 LMNA (0.52) TNFATMMEN1KMT2AS100A4
SCHEMBL6694241 0.79 ALDH1A1 (0.57) KMT2ALMNACA9KDM4EALDH1A1
SCHEMBL5866035 0.79 ALDH1A1 (0.57) KMT2ALMNACA9KDM4EALDH1A1
SCHEMBL6690737 0.79 ALDH1A1 (0.57) KMT2ALMNACA9KDM4EALDH1A1
SCHEMBL6260167 0.79 TNF (0.53) TNFATMMEN1KMT2AS100A4
SCHEMBL2167750 0.77 ALDH1A1 (0.64) TNFATMMEN1KMT2AS100A4
SCHEMBL31259790 0.77 TNF (0.51) TNFATMMEN1KMT2AS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP claimed
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP disclosed
US-6200987-B1 ADMINISTERING AS TUMOR NECROSIS FACTOR INHIBITORS; CACHEXIA, ENDOTOXIN SHOCK; RETROVIRUS VIRICIDES CELGENE CORPORATION 2001-03-13 US disclosed
US-6075041-A TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 2000-06-13 US disclosed
EP-1004581-A2 Process for the preparation of thalidomide CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-1004572-A2 Amines as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-1004580-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
US-5877200-A Cyclic amides CELGENE CORPORATION (US) 1999-03-02 US disclosed
US-5698579-A INHIBITOR OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-16 US disclosed
US-5605914-A INHIBITORS OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-02-25 US disclosed
EP-0706521-A1 NOVEL IMIDES CELGENE CORPORATION (US) 1996-04-17 EP disclosed
WO-1995001348-A2 IMIDES AS INHIBITORS OF TNP ALPHA CELGENE CORPORATION (US) 1995-01-12 WO disclosed