SCHEMBL466334

SCHEMBL466334

Nc1nc(=O)[nH]cc1[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 6/20 0.47
HIF1A Q16665 2/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MTOR P42345 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GMNN O75496 2/20 0.40
NFKB1 P19838 2/20 0.40
BLM P54132 2/20 0.40
PMP22 Q01453 2/20 0.40
UMPS P11172 1/20 0.40
THRB P10828 1/20 0.40
MDM2 Q00987 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
DNMT1 P26358 1/20 0.40
THPO P40225 1/20 0.40
HTT P42858 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
SCHEMBL4588335 1.00 PNP (0.47) PNPHIF1ALMNASMN1; SMN2MTOR
SCHEMBL2778662 1.00 PNP (0.47) PNPHIF1ALMNASMN1; SMN2MTOR
SCHEMBL5574710 1.00 PNP (0.47) PNPHIF1ALMNASMN1; SMN2MTOR
SCHEMBL5574698 1.00 PNP (0.47) PNPHIF1ALMNASMN1; SMN2MTOR
SCHEMBL29122970 0.99 PNP (0.46) PNPHIF1APYGL
SCHEMBL17873225 0.82 PNP (0.44) PNPHIF1ALMNASMN1; SMN2ALDH1A1
SCHEMBL14365990 0.81 PNP (0.50) PNPHIF1ALMNASMN1; SMN2MTOR
SCHEMBL10081193 0.81 PNP (0.50) PNPHIF1ALMNASMN1; SMN2MTOR
SCHEMBL14066117 0.81 PNP (0.50) PNPHIF1ALMNASMN1; SMN2MTOR
SCHEMBL902517 0.81 PNP (0.50) PNPHIF1ALMNASMN1; SMN2MTOR

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-2405916-A2 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF HEMATOPOIETIC MALIGNANCIES Genentech, Inc. (US) 2012-01-18 EP disclosed
WO-2010105008-A2 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF HEMATOPOIETIC MALIGNANCIES GENENTECH, INC. (US) 2010-09-16 WO disclosed