SCHEMBL9851748

SCHEMBL9851748

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ncc3c(=O)[nH]cnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATG7 O95352 1/20 0.39
TYMP P19971 3/20 0.37
ALDH1A1 P00352 1/20 0.37
P2RX3 P56373 1/20 0.36
STING1 Q86WV6 1/20 0.35
GSK3A P49840 2/20 0.34
RPS6KA3 P51812 2/20 0.34
MAPK14 Q16539 2/20 0.34
NT5E P21589 7/20 0.34
HPRT1 P00492 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL9851812 0.92 ALDH1A1 (0.39) ATG7TYMPALDH1A1P2RX3STING1
SCHEMBL9851862 0.91 MEN1 (0.39) ATG7TYMPALDH1A1P2RX3STING1
SCHEMBL9851873 0.91 ATG7 (0.48) ATG7TYMPALDH1A1P2RX3GSK3A
SCHEMBL9851747 0.85 SMN1; SMN2 (0.39) ATG7TYMPALDH1A1P2RX3STING1
SCHEMBL9851859 0.85 ALDH1A1 (0.39) ATG7TYMPALDH1A1P2RX3STING1
SCHEMBL9851816 0.81 MEN1 (0.37) ATG7TYMPALDH1A1STING1
SCHEMBL9851775 0.81 ATG7 (0.44) ATG7TYMPP2RX3GSK3ARPS6KA3
SCHEMBL9851804 0.80 NT5E (0.41) ATG7TYMPALDH1A1P2RX3STING1
SCHEMBL9851884 0.79 ATG7 (0.43) ATG7TYMPALDH1A1P2RX3STING1
SCHEMBL9851701 0.79 ALDH1A1 (0.37) ALDH1A1STING1NT5EMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP disclosed