SCHEMBL11934656

SCHEMBL11934656

CC[C@H]1O[C@@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@@H](O)C1O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 11/20 0.42
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
MTOR P42345 1/20 0.40
MDM2 Q00987 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11934657 1.00 SLC29A1 (0.42) SLC29A1LMNATHRBMTORMDM2
SCHEMBL11934658 0.91 SLC29A1 (0.39) SLC29A1LMNARAB9ACYP3A4PKM
SCHEMBL29446054 0.91 LMNA (0.49) SLC29A1LMNATHRBMTORMDM2
SCHEMBL14084325 0.91 LMNA (0.49) SLC29A1LMNATHRBMTORMDM2
SCHEMBL14534827 0.91 LMNA (0.49) SLC29A1LMNATHRBMTORMDM2
SCHEMBL29703 0.91 LMNA (0.49) SLC29A1LMNATHRBMTORMDM2
SCHEMBL1062447 0.91 LMNA (0.49) SLC29A1LMNATHRBMTORMDM2
SCHEMBL13205010 0.85 SLC6A2 (0.38) LMNASMN1; SMN2
SCHEMBL13714345 0.85 SLC6A2 (0.38) LMNASMN1; SMN2
SCHEMBL11934654 0.83 SLC6A2 (0.33) SLC29A1

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
US-8227188-B2 Enhancement of influenza gene expression ALNYLAM PHARMACEUTICALS, INC. (US) 2012-07-24 US disclosed
US-20110033859-A1 RNAi INHIBITION OF INFLUENZA VIRUS REPLICATION ALNYLAM PHARMACEUTICALS, INC. (US) 2011-02-10 US disclosed