SCHEMBL1344477

SCHEMBL1344477

CC(C)c1ccc(OCC(=O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 7/20 0.40
PNP P00491 1/20 0.38
GSK3A P49840 2/20 0.38
RPS6KA3 P51812 2/20 0.38
MAPK14 Q16539 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HPGD P15428 1/20 0.37
KRAS P01116 5/20 0.36
TAAR1 Q96RJ0 1/20 0.35
NT5E P21589 1/20 0.34
STING1 Q86WV6 1/20 0.33

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
SCHEMBL2365649 0.89 HINT1 (0.45) HINT1PNPGSK3ARPS6KA3MAPK14
SCHEMBL5216686 0.78 HINT1 (0.46) HINT1PNPGSK3ARPS6KA3MAPK14
SCHEMBL21184283 0.78 TYMP (0.36) TAS1R3TAS1R1HPGD
SCHEMBL18759035 0.78 TYMP (0.36) TAS1R3TAS1R1HPGD
SCHEMBL21171618 0.78 TYMP (0.36) TAS1R3TAS1R1HPGD
SCHEMBL18759043 0.78 TYMP (0.36) TAS1R3TAS1R1HPGD
SCHEMBL18769139 0.78 TYMP (0.36) TAS1R3TAS1R1HPGD
SCHEMBL21163079 0.78 TYMP (0.36) TAS1R3TAS1R1HPGD
SCHEMBL25688968 0.77 KDM4E (0.44) HINT1TAS1R3TAS1R1HPGDSTING1
SCHEMBL12991055 0.77 HINT1 (0.33) HINT1TAS1R3TAS1R1HPGDSTING1

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-2540734-A2 Process and reagents for oligonucleotide synthesis and purification Alnylam Pharmaceuticals, Inc. (US) 2013-01-02 EP disclosed
US-8063198-B2 Processes and reagents for desilylation of oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed