SCHEMBL6195293

SCHEMBL6195293

O=c1ccn(CCO)c(C(O)c2ccccc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
COMT P21964 2/20 0.35
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DUT P33316 1/20 0.33
KDM6A O15550 1/20 0.33
KDM4A O75164 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM5C P41229 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
DOHH Q9BU89 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
SCHEMBL6197536 0.88 CYP2D6 (0.38) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL6197600 0.86 KDM4E (0.37) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL6196493 0.86 KDM4E (0.34) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL6196517 0.86 FPR2 (0.33) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL6196542 0.86 KMT2A (0.33) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL6199262 0.84 CES2 (0.35) KDM4EHDAC4
SCHEMBL6198424 0.84 SMN1; SMN2 (0.42) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL6199826 0.84 UGT2B7 (0.37) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL6197640 0.84 KDM4E (0.46) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL8850201 0.84 FABP4 (0.40) KDM4EHTTTP53CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022037594-A1 USE OF IRON CHELATING AGENT IN PREPARATION OF DRUG FOR TREATING OR PREVENTING POLYOMAVIRUS INFECTION 上海市公共卫生临床中心 2022-02-24 WO claimed
CN-114073772-A Use of an iron chelator for the treatment or prevention of polyoma viral infections 上海市公共卫生临床中心 2022-02-22 CN claimed
EP-0768302-B1 Hydroxypyridinones NOVARTIS AG (CH) 2005-07-06 EP claimed
US-5688815-A COMPOUNDS FOR REMOVAL OF EXCESS IRON IN MAMMALS CIBA GEIGY CORPORATION (US) 1997-11-18 US claimed
EP-0768302-A2 Hydroxypyridinones Novartis AG (CH) 1997-04-16 EP claimed
JP-9124603-A None JP disclosed
WO-2022037594-A1 USE OF IRON CHELATING AGENT IN PREPARATION OF DRUG FOR TREATING OR PREVENTING POLYOMAVIRUS INFECTION 上海市公共卫生临床中心 2022-02-24 WO disclosed
CN-114073772-A Use of an iron chelator for the treatment or prevention of polyoma viral infections 上海市公共卫生临床中心 2022-02-22 CN disclosed
EP-0768302-B1 Hydroxypyridinones NOVARTIS AG (CH) 2005-07-06 EP disclosed
US-5688815-A COMPOUNDS FOR REMOVAL OF EXCESS IRON IN MAMMALS CIBA GEIGY CORPORATION (US) 1997-11-18 US disclosed
JP-H09124603-A NEW HYDROXYPYRIDINONE CIBA GEIGY AG 1997-05-13 JP disclosed
EP-0768302-A2 Hydroxypyridinones Novartis AG (CH) 1997-04-16 EP disclosed