SCHEMBL9851701

SCHEMBL9851701

CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ncc3c(=O)[nH]cnc32)O1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
STING1 Q86WV6 1/20 0.34
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
ALB P02768 1/20 0.32
MAPK1 P28482 1/20 0.32
NT5E P21589 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TOP2A P11388 1/20 0.30

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
SCHEMBL9851856 0.91 ALDH1A1 (0.39) ALDH1A1STING1HTTMAPTLMNA
SCHEMBL9851799 0.89 ALDH1A1 (0.34) ALDH1A1STING1HTTMAPTNT5E
SCHEMBL9851804 0.88 NT5E (0.41) ALDH1A1STING1HTTMAPTLMNA
SCHEMBL9851812 0.81 ALDH1A1 (0.39) ALDH1A1STING1HTTMAPTLMNA
SCHEMBL9851837 0.81 ALDH1A1 (0.35) ALDH1A1STING1HTTMAPTLMNA
SCHEMBL9851748 0.79 ATG7 (0.39) ALDH1A1STING1MAPTNT5E
SCHEMBL9851876 0.79 NT5E (0.40) ALDH1A1STING1HTTMAPTLMNA
SCHEMBL9851704 0.79 ALDH1A1 (0.39) ALDH1A1STING1HTTMAPTLMNA
SCHEMBL9851873 0.78 ATG7 (0.48) ALDH1A1NT5E
SCHEMBL9851793 0.76 ALDH1A1 (0.37) ALDH1A1STING1HTTMAPTLMNA

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