SCHEMBL5041554

SCHEMBL5041554

NC(=O)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
ACHE P22303 1/20 0.60
HDAC8 Q9BY41 3/20 0.59
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
LMNA P02545 2/20 0.57
HSD17B10 Q99714 3/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL607416 0.93 HDAC8 (0.69) ALDH1A1HDAC8HDAC3HDAC4HDAC1
SCHEMBL608494 0.93 HDAC8 (0.69) ALDH1A1HDAC8HDAC3HDAC4HDAC1
SCHEMBL24687436 0.93 HDAC8 (0.69) ALDH1A1HDAC8HDAC3HDAC4HDAC1
SCHEMBL1477933 0.91 ALDH1A1 (0.57) ALDH1A1HDAC8HDAC3HDAC4HDAC1
SCHEMBL29441539 0.91 ALDH1A1 (0.57) ALDH1A1HDAC8HDAC3HDAC4HDAC1
SCHEMBL11754615 0.87 ALDH1A1 (0.62) ALDH1A1ACHEHDAC8HDAC3HDAC4
SCHEMBL6994876 0.86 ALDH1A1 (0.54) ALDH1A1ACHEHDAC8HDAC3HDAC4
SCHEMBL29163024 0.86 ALDH1A1 (0.54) ALDH1A1ACHEHDAC8HDAC3HDAC4
SCHEMBL877279 0.85 KMT2A (0.73) ALDH1A1ACHEHDAC8HDAC3HDAC4
SCHEMBL29459522 0.85 KMT2A (0.73) ALDH1A1ACHEHDAC8HDAC3HDAC4

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 15 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-1450796-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP disclosed
US-6596718-B1 A compound of formula I has a good affinity to the A2A receptor and is useful for the treatment of diseases mediated by this receptor. HOFFMANN-LA ROCHE INC. 2003-07-22 US 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-1004580-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP 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
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
US-5463063-A Preparation of thalidomide; inhibitor of tumor necrosis factor CELGENE CORPORATION (US) 1995-10-31 US disclosed
WO-1995001348-A2 IMIDES AS INHIBITORS OF TNP ALPHA CELGENE CORPORATION (US) 1995-01-12 WO disclosed