SCHEMBL7782815

SCHEMBL7782815

CC(C)C(=O)Nc1nc2[nH]c([C@H]3C[C@H](O)[C@@H](CO)O3)cc2c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
TK1 P04183 2/20 0.34
TK2 O00142 1/20 0.34
NOS1 P29475 1/20 0.33
POLA1 P09884 1/20 0.33
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PAX3 P23760 1/20 0.32
FOXO1 Q12778 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
ADRA1A P35348 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7782820 1.00 KDM4E (0.41) KDM4ETK1TK2NOS1POLA1
SCHEMBL3955597 0.82 KDM4E (0.39) KDM4ELMNASMN1; SMN2PAX3FOXO1
SCHEMBL22639182 0.80 KDM4E (0.42) KDM4ETK1TK2NOS1POLA1
SCHEMBL7053282 0.79 SMN1; SMN2 (0.40) KDM4ELMNASMN1; SMN2PAX3FOXO1
SCHEMBL26298314 0.76 KDM4E (0.49) KDM4ETK1TK2POLA1
SCHEMBL25507075 0.71 KDM4E (0.72) KDM4EPOLA1LMNASMN1; SMN2
SCHEMBL10068104 0.71 KDM4E (0.72) KDM4EPOLA1LMNASMN1; SMN2
SCHEMBL20346237 0.71 KDM4E (0.72) KDM4EPOLA1LMNASMN1; SMN2
SCHEMBL264545 0.71 KDM4E (0.72) KDM4EPOLA1LMNASMN1; SMN2
SCHEMBL12714741 0.71 KDM4E (0.72) KDM4EPOLA1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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