SCHEMBL7540781

SCHEMBL7540781

CCOc1ccc(OC)c2c1CCC([N+](=O)[O-])=C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
LMNA P02545 4/20 0.36
MAPT P10636 6/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 2/20 0.33
ALOX12 P18054 1/20 0.33
NTSR1 P30989 1/20 0.33
CCR6 P51684 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL7540187 0.81 KDM4E (0.47) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL7543632 0.80 TDP1 (0.33) MAPK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL7543629 0.77 KMT2A (0.37) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL7547973 0.71 HTR2A (0.39) MAPK1MAPTTSHRALDH1A1KDM4E
SCHEMBL7546763 0.70 GRIN2D (0.36) MAPK1MAPTKMT2AMEN1TSHR
SCHEMBL7543660 0.68 KDM4E (0.39) MAPK1MAPTTSHRALDH1A1KDM4E
Nitrous Acid SCHEMBL7549271 0.67 HTR2A (0.36) MAPTTSHRKDM4EHTT
SCHEMBL2372812 0.66 HTT (0.60) MAPK1LMNAMAPTRAB9AKMT2A
SCHEMBL1008451 0.66 HTT (0.60) LMNAMAPTRAB9AKMT2AMEN1
SCHEMBL18245864 0.65 ALDH1A1 (0.50) MAPK1LMNAMAPTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883599-B1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
EP-0883599-A1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ZENECA LIMITED (GB) 1998-12-16 EP disclosed
US-5807897-A MUSCULAR DISORDERS ZENECA LIMITED (GB) 1998-09-15 US disclosed
WO-1997031887-A1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ZENECA LIMITED (GB) 1997-09-04 WO disclosed