SCHEMBL7867657

SCHEMBL7867657

COC(=O)CC(NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.59
MAPT P10636 6/20 0.53
GAA P10253 2/20 0.53
TNF P01375 2/20 0.52
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2 P17301 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL7872598 0.89 TNF (0.55) MAPTTNFLMNAITGB3ITGA2
SCHEMBL7872607 0.85 TAS1R3 (0.53) MAPTGAATNFSMN1; SMN2LMNA
SCHEMBL7876448 0.84 POLB (0.58) MAPTTNFSMN1; SMN2LMNAITGB3
SCHEMBL7867559 0.83 ITGB3 (0.49) MAPTTNFSMN1; SMN2LMNAITGB3
SCHEMBL8174992 0.78 MAPK1 (0.54) MAPTGAASMN1; SMN2TDP1LMNA
SCHEMBL7876199 0.77 HPGD (0.52) MAPTTNFSMN1; SMN2LMNAALDH1A1
SCHEMBL7197279 0.75 ALDH1A1 (0.67) MAPTGAARAB9ALMNAALDH1A1
SCHEMBL7874393 0.75 NPSR1 (0.57) MAPTSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL5700847 0.75 ROCK2 (0.54) MAPTTNFSMN1; SMN2LMNAALDH1A1
SCHEMBL5700841 0.75 ROCK2 (0.54) MAPTTNFSMN1; SMN2LMNAALDH1A1

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
EP-0800505-B1 NOVEL IMMUNOTHERAPEUTIC ARYL AMIDES CELGENE CORP (US) 2001-09-26 EP disclosed
US-6284780-B1 PREVENT TUMOR NECROSIS FACTOR RETROVIRUS REPRODUCTION CELGENE CORPORATION 2001-09-04 US disclosed
US-6046221-A USEFUL FOR REDUCING LEVELS OF TUMOR NECROSIS FACTOR-ALPHA IN A MAMMAL CELGENE CORPORATION (US) 2000-04-04 US disclosed
US-5801195-A TUMOR NECROSIS AGENT INHIBITORS FOR COMBATING CACHEXIA, ENDOTOXIC SHOCK AND RETROVIRUS REPLICATION CELGENE CORPORATION (US) 1998-09-01 US disclosed
US-5736570-A ADMINISTERING TO REDUCE TUMOR NECROSIS FACTOR (TNFA) LEVELS IN MAMMAL; RETROVIRAL DISEASE TREATMENT/PROPHYLAXIS CELGENE CORPORATION (US) 1998-04-07 US disclosed
EP-0800505-A1 NOVEL IMMUNOTHERAPEUTIC ARYL AMIDES CELGENE CORPORATION (US) 1997-10-15 EP disclosed
WO-1996020915-A1 NOVEL IMMUNOTHERAPEUTIC ARYL AMIDES CELGENE CORPORATION (US) 1996-07-11 WO disclosed