SCHEMBL6924928

SCHEMBL6924928

COc1ccc([N+](=O)[O-])cc1CCC(=O)N(C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.49
LMNA P02545 3/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL6922213 0.82 ALDH1A1 (0.55) ALDH1A1LMNAHPGDGAASMN1; SMN2
SCHEMBL2335513 0.81 ALDH1A1 (0.50) ALDH1A1LMNAHPGDGAASMN1; SMN2
SCHEMBL2335508 0.78 ALDH1A1 (0.56) ALDH1A1LMNAHPGDGAASMN1; SMN2
SCHEMBL13864485 0.78 ALDH1A1 (0.55) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL6926699 0.78 LMNA (0.48) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL8973826 0.76 TDP1 (0.57) ALDH1A1LMNAHPGDGAASMN1; SMN2
SCHEMBL4364949 0.76 ALDH1A1 (0.53) ALDH1A1LMNAHPGDGAASMN1; SMN2
SCHEMBL4361623 0.75 TDP1 (0.53) ALDH1A1LMNAHPGDGAASMN1; SMN2
SCHEMBL922726 0.74 TDP1 (0.58) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL30780913 0.74 TDP1 (0.58) ALDH1A1LMNAHPGDGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001766-B1 COMPOUNDS FOR THE TREATMENT OF CCR5-MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6515027-B1 Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 SMITHKLINE BEECHAM CORP. 2003-02-04 US disclosed
EP-1001766-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2001-04-04 EP disclosed
EP-1001766-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999001127-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO disclosed