SCHEMBL3786766

SCHEMBL3786766

O=c1nc([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 2/20 0.47
PYGL P06737 6/20 0.43
PNP P00491 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
STAT6 P42226 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL2563761 1.00 SLC5A2 (0.47) SLC5A2PYGLPNPALDH1A1KDM4E
SCHEMBL1444855 1.00 SLC5A2 (0.47) SLC5A2PYGLPNPALDH1A1KDM4E
SCHEMBL7024599 1.00 SLC5A2 (0.47) SLC5A2PYGLPNPALDH1A1KDM4E
SCHEMBL16718948 0.77 NLRP3 (0.35) SLC5A2
Ribose (Furanose) SCHEMBL8833 0.76 LMNA (0.49) PNPALDH1A1GMNNLMNABLM
Ribose (Furanose) SCHEMBL3341287 0.76 LMNA (0.49) PNPALDH1A1GMNNLMNABLM
Ribose (Furanose) SCHEMBL142622 0.76 LMNA (0.49) PNPALDH1A1GMNNLMNABLM
Ribose (Furanose) SCHEMBL2325834 0.76 LMNA (0.49) PNPALDH1A1GMNNLMNABLM
SCHEMBL9751247 0.75 ADRB1 (0.38) LMNASMN1; SMN2
SCHEMBL8663124 0.75 ADRB1 (0.38) LMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170827-A2 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed
WO-2010077310-A2 AMIDE DERIVATIVES OF ETHACRYNIC ACID THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-08 WO disclosed
EP-1942937-A1 ANTINEOPLASTIC COMBINATIONS WITH MTOR INHIBITOR, HERCEPTIN, AND/OR HKI-272 Wyeth (US) 2008-07-16 EP disclosed
WO-2007056118-A1 ANTINEOPLASTIC COMBINATIONS WITH MTOR INHIBITOR, HERCEPTIN, AND/OR HKI-272 WYETH (US) 2007-05-18 WO disclosed