SCHEMBL8701413

SCHEMBL8701413

O=C(O)c1nsnc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NR4A2 P43354 3/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
P4HTM Q9NXG6 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SRD5A2 P31213 1/20 0.43
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
MGMT P16455 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 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
SCHEMBL7743909 0.75 L3MBTL1 (0.61) ALDH1A1NR4A2NR4A1NR4A3P4HTM
SCHEMBL6640147 0.75 TSHR (0.52) ALDH1A1TSHRMAPK1ALOX15HSD17B10
SCHEMBL31393990 0.74 NR4A1 (0.46) NR4A2NR4A1NR4A3P4HTMMEN1
SCHEMBL1338458 0.71 RNASEH1 (0.42) ALDH1A1TSHRLMNAHPGD
SCHEMBL8701110 0.71 HSD17B10 (0.49) ALDH1A1TSHRMAPK1ALOX15HSD17B10
SCHEMBL31394950 0.71 KDM4E (0.50) ALDH1A1NR4A2NR4A1NR4A3P4HTM
SCHEMBL31347386 0.70 L3MBTL1 (0.47) ALDH1A1TSHRMAPK1NR4A2NR4A1
SCHEMBL30848623 0.69 LTA4H (0.58) ALDH1A1HPGDKDM4E
SCHEMBL2426791 0.69 LTA4H (0.58) ALDH1A1HPGDKDM4E
SCHEMBL3604199 0.69 L3MBTL1 (0.61) ALDH1A1TSHRALOX15NR4A2NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1085663-C Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2002-05-29 CN disclosed
CN-1286254-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2001-03-07 CN disclosed
US-5843942-A Aromatic amino ethers as pain relieving agents ZENECA LIMITED (GB) 1998-12-01 US disclosed
CN-1154106-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 1997-07-09 CN disclosed
EP-0773930-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1997-05-21 EP disclosed
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 WO disclosed