SCHEMBL5717586

SCHEMBL5717586

O=C(O)CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
SIRT2 Q8IXJ6 1/20 0.67
HDAC2 Q92769 5/20 0.66
HDAC8 Q9BY41 5/20 0.66
HDAC1 Q13547 5/20 0.66
LMNA P02545 5/20 0.63
ATM Q13315 1/20 0.63
MITF O75030 1/20 0.60
TP53 P04637 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 1/20 0.54
MAPT P10636 3/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MCL1 Q07820 1/20 0.51
HPGD P15428 1/20 0.49

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
SCHEMBL5717819 0.88 SIRT2 (0.65) TSHRSIRT2HDAC2HDAC8HDAC1
SCHEMBL2211704 0.85 HDAC1 (0.69) TSHRHDAC2HDAC8HDAC1LMNA
SCHEMBL6325165 0.82 TSHR (0.76) TSHRLMNAATMMITFTP53
SCHEMBL27930167 0.82 SIRT2 (0.60) TSHRSIRT2HDAC2HDAC8HDAC1
SCHEMBL5330405 0.82 ALDH1A1 (0.83) TSHRHDAC2HDAC8HDAC1LMNA
SCHEMBL162090 0.81 SIRT2 (0.69) SIRT2HDAC2HDAC8HDAC1LMNA
SCHEMBL6328232 0.81 TSHR (0.74) TSHRSIRT2HDAC2HDAC8HDAC1
SCHEMBL6332416 0.81 TSHR (0.74) TSHRSIRT2HDAC2HDAC8HDAC1
SCHEMBL1684613 0.81 TSHR (0.74) TSHRHDAC2HDAC8HDAC1LMNA
SCHEMBL5717662 0.81 TSHR (1.00) TSHRSIRT2HDAC2HDAC8HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed