SCHEMBL4824059

SCHEMBL4824059

NNc1c(Cl)c2c(c(NN)c1NN)C(=O)OC21c2ccc(O)cc2Oc2cc(O)cc(Cl)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
BRCA1 P38398 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX12 P18054 2/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
FTO Q9C0B1 9/20 0.44
RECQL P46063 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
SMAD3 P84022 2/20 0.44
MEN1 O00255 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
PRMT1 Q99873 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
THRB P10828 2/20 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
Hydrochloric Acid SCHEMBL8215945 0.99 HPGD (0.47) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL7263187 0.92 HPGD (0.56) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL11206362 0.80 HPGD (0.52) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL5142280 0.80 ALDH1A1 (0.50) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL7095947 0.80 ALDH1A1 (0.50) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL202609 0.80 ALDH1A1 (0.50) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL6726589 0.77 ALDH1A1 (0.47) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL30887311 0.75 ALDH1A1 (0.63) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL29361906 0.75 ALDH1A1 (0.63) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL134733 0.75 ALDH1A1 (0.63) HPGDALDH1A1BRCA1HSD17B10ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442553-B2 Method for determining the amount of the maleimidyl groups of a particle FUJI XEROX CO., LTD. (JP) 2008-10-28 US disclosed
US-20060051871-A1 Method for determining the amount of the maleimidyl groups of a particle FUJI XEROX CO., LTD. 2006-03-09 US disclosed
EP-1038037-A4 SCREENING ASSAYS FOR THE DETECTION AND DIAGNOSIS OF INFLUENZA VIRUS SEPRACOR INC (US) 2003-02-12 EP disclosed
CN-1285001-A Methods for simultaneous identification of novel biological targets and lead structures for drug development SEPRACOR INC (US) 2001-02-21 CN disclosed
CN-1285003-A Screening method for detecting and diagnosing influenza virus SEPRACOR INC (US) 2001-02-21 CN disclosed
EP-1049796-A1 METHODS FOR THE SIMULTANEOUS IDENTIFICATION OF NOVEL BIOLOGICAL TARGETS AND LEAD STRUCTURES FOR DRUG DEVELOPMENT SEPRACOR, INC. (US) 2000-11-08 EP disclosed
EP-1038037-A1 SCREENING ASSAYS FOR THE DETECTION AND DIAGNOSIS OF INFLUENZA VIRUS SEPRACOR, INC. (US) 2000-09-27 EP disclosed
WO-1999031280-A1 SCREENING ASSAYS FOR THE DETECTION AND DIAGNOSIS OF INFLUENZA VIRUS SEPRACOR INC. (US) 1999-06-24 WO disclosed
WO-1999031267-A1 METHODS FOR THE SIMULTANEOUS IDENTIFICATION OF NOVEL BIOLOGICAL TARGETS AND LEAD STRUCTURES FOR DRUG DEVELOPMENT SEPRACOR INC. (US) 1999-06-24 WO disclosed