SCHEMBL7540968

SCHEMBL7540968

COc1cc(Br)c(OC)c2c1C=CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.47
CA2 P00918 3/20 0.35
CA4 P22748 3/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
APOBEC3A P31941 1/20 0.34
HTT P42858 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
HTR2C P28335 2/20 0.33
HTR2B P41595 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 2/20 0.32
CA6 P23280 2/20 0.32
KMT2A Q03164 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 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
SCHEMBL7551757 0.87 HTR2A (0.43) HTR2ACA2CA4POLBL3MBTL1
SCHEMBL7544301 0.77 KDM4E (0.46) HTR2AHTR2CHTR2BKDM4E
SCHEMBL8670294 0.72 KDM4E (0.40) HTR2AHTR2CHTR2BKDM4E
SCHEMBL7547973 0.69 HTR2A (0.39) HTR2ATSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL6782949 0.68 TUBB4A (0.40) POLBMAPTKMT2ATUBB4ATUBB
SCHEMBL3914363 0.67 KDM4E (0.47) CA2CA4POLBTSHRMAPT
SCHEMBL8411765 0.65 HTR2A (0.46) HTR2APOLBL3MBTL1HTR2CHTR2B
SCHEMBL11188883 0.65 HTR2A (0.43) HTR2ACA2CA4POLBL3MBTL1
SCHEMBL7543660 0.65 KDM4E (0.39) L3MBTL1TSHRMAPTTUBB1KDM4E
Nitrous Acid SCHEMBL7549271 0.65 HTR2A (0.36) HTR2ATSHRAPOBEC3AHTTAPOBEC3G

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
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
US-4374979-A Regiospecific synthesis of anthracyclinone compounds such as daunomycinone THE UNIVERSITY OF KANSAS ENDOWMENT ASSOCIATION (US) 1983-02-22 US disclosed
EP-0063945-A1 Process for the regiospecific synthesis of anthracyclinone compounds such as daunomycinone THE UNIVERSITY OF KANSAS (US) 1982-11-03 EP disclosed