SCHEMBL24512513

SCHEMBL24512513

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](I)C2O[Si](C)(C)C(C)(C)C)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ TAS1R3 Q7RTX0 2/20 0.47
▸ TAS1R1 Q7RTX1 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HINT1 P49773 5/20 0.38
▸ IMPDH2 P12268 4/20 0.37
▸ IMPDH1 P20839 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ STING1 Q86WV6 1/20 0.36
▸ KRAS P01116 1/20 0.35

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
SCHEMBL24512468 1.00 KDM4E (0.48) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL24512723 0.92 KDM4E (0.54) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL24512508 0.92 KDM4E (0.54) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL29664919 0.92 TAS1R3 (0.53) KDM4ETAS1R3TAS1R1ALDH1A1HINT1
SCHEMBL29870610 0.92 TAS1R3 (0.53) KDM4ETAS1R3TAS1R1ALDH1A1HINT1
SCHEMBL24512507 0.92 TAS1R3 (0.53) KDM4ETAS1R3TAS1R1ALDH1A1HINT1
SCHEMBL25107034 0.92 TAS1R3 (0.53) KDM4ETAS1R3TAS1R1ALDH1A1HINT1
SCHEMBL25613001 0.91 KDM4E (0.48) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL24181915 0.87 KDM4E (0.56) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL22883219 0.87 TAS1R3 (0.62) KDM4ETAS1R3TAS1R1HINT1IMPDH2

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
WO-2022123501-A1 PROTECTED DEOXYDIDEHYDRO-NUCLEOSIDES VICTORIA LINK LIMITED (NZ) 2022-06-16 — — WO disclosed
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