SCHEMBL27142328

SCHEMBL27142328

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2OC3(C)C(C2O[Si](C)(C)C(C)(C)C)[C@H]3CO)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ STING1 Q86WV6 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HINT1 P49773 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ POLA1 P09884 1/20 0.32
▸ KRAS P01116 1/20 0.31
▸ IMPDH2 P12268 2/20 0.31
▸ IMPDH1 P20839 1/20 0.31

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
SCHEMBL26347587 0.83 KDM4E (0.56) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL24181915 0.83 KDM4E (0.56) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL23594003 0.83 KDM4E (0.54) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL26808496 0.83 KDM4E (0.56) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL6397986 0.82 KDM4E (0.55) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL12714813 0.82 KDM4E (0.55) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL6397981 0.82 KDM4E (0.55) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL29479242 0.82 KDM4E (0.55) KDM4ETAS1R3TAS1R1HPGDHINT1
SCHEMBL24487754 0.81 KDM4E (0.54) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL22337233 0.81 KDM4E (0.54) KDM4ETAS1R3TAS1R1ALDH1A1MEN1

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-2024044375-A2 ANTIVIRAL COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-02-29 — — WO disclosed
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