SCHEMBL7543629

SCHEMBL7543629

COc1ccc(C=S)c2c1C=C([N+](=O)[O-])CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 3/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP19A1 P11511 2/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 2/20 0.33
PTGS2 P35354 1/20 0.33
ALOX15 P16050 1/20 0.33
PRKDC P78527 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR9 Q9NR96 1/20 0.32
POLB P06746 2/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32

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 0.80 KDM4E (0.47) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL7540781 0.77 MAPK1 (0.38) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL7543632 0.76 TDP1 (0.33) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL7547973 0.70 HTR2A (0.39) BCHEACHEALDH1A1KDM4EMAPT
SCHEMBL7548030 0.69 ALDH1A1 (0.32) KMT2AALDH1A1KDM4EMAPTPOLB
SCHEMBL7546763 0.67 GRIN2D (0.36) KMT2AMEN1BCHEACHEALDH1A1
Nitrous Acid SCHEMBL7549271 0.66 HTR2A (0.36) BCHEACHEKDM4EMAPTPTGS2
SCHEMBL7007492 0.61 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL5763685 0.60 NR1H4 (0.49) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL7547552 0.60 ALDH1A1 (0.33) KMT2AALDH1A1KDM4EMAPTPOLB

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