SCHEMBL7053282

SCHEMBL7053282

COc1ccc(C(OC[C@H]2O[C@@H](c3cc4c(=O)[nH]c(NC(=O)C(C)C)nc4[nH]3)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TYMP P19971 2/20 0.39
ESR1 P03372 1/20 0.36
PDE9A O76083 7/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PAX3 P23760 1/20 0.33
FOXO1 Q12778 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
PDE5A O76074 2/20 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
SCHEMBL7053284 1.00 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL7782815 0.79 KDM4E (0.41) SMN1; SMN2LMNATSHRKDM4EPAX3
SCHEMBL7782820 0.79 KDM4E (0.41) SMN1; SMN2LMNATSHRKDM4EPAX3
SCHEMBL12714672 0.79 TYMP (0.59) TYMPPOLBKDM4E
SCHEMBL3821714 0.79 TYMP (0.59) TYMPPOLBKDM4E
SCHEMBL21828784 0.79 TYMP (0.59) TYMPPOLBKDM4E
SCHEMBL2281663 0.79 TYMP (0.59) TYMPPOLBKDM4E
SCHEMBL31556051 0.79 TYMP (0.59) TYMPPOLBKDM4E
SCHEMBL30274928 0.78 TYMP (0.44) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL27041210 0.78 TYMP (0.44) SMN1; SMN2NPC1RAB9AMAPTLMNA

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-1301523-A1 N8 - AND C8 -LINKED PURINE BASES AND STRUCTURALLY RELATED HETEROCYCLES AS UNIVERSAL NUCLEOSIDES USED FOR OLIGONUCLEOTIDE HYBRIDIZATION Roche Diagnostics GmbH (DE) 2003-04-16 EP disclosed
WO-2001072764-A1 N?8- AND C8¿-LINKED PURINE BASES AND STRUCTURALLY RELATED HETEROCYCLES AS UNIVERSAL NUCLEOSIDES USED FOR OLIGONUCLEOTIDE HYBRIDIZATION F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 WO disclosed
EP-1138689-A1 N8- and C8-linked purine bases as universal nucleosides used for oligonucleotide hybridization Roche Diagnostics GmbH (DE) 2001-10-04 EP disclosed
EP-1138688-A1 N8- and C8- linked purine bases as universal nucleosides used for oligonucleotide hybridization Roche Diagnostics GmbH (DE) 2001-10-04 EP disclosed