SCHEMBL29973219

SCHEMBL29973219

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](OC(=O)c3ccccc3)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ TAS1R3 Q7RTX0 2/20 0.44
▸ TAS1R1 Q7RTX1 2/20 0.44
▸ P2RX3 P56373 1/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39
▸ TAAR1 Q96RJ0 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ P2RY11 Q96G91 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HINT1 P49773 1/20 0.37
▸ IMPDH2 P12268 1/20 0.36
▸ NT5E P21589 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36

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
SCHEMBL25387607 1.00 KDM4E (0.49) KDM4ETAS1R3TAS1R1P2RX3P2RX4
SCHEMBL24377105 1.00 KDM4E (0.49) KDM4ETAS1R3TAS1R1P2RX3P2RX4
SCHEMBL25389665 0.97 KDM4E (0.49) KDM4ETAS1R3TAS1R1P2RX3P2RX4
SCHEMBL24377219 0.97 KDM4E (0.49) KDM4ETAS1R3TAS1R1P2RX3P2RX4
SCHEMBL26347587 0.91 KDM4E (0.56) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL24181915 0.91 KDM4E (0.56) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL29479237 0.89 KDM4E (0.53) KDM4ETAS1R3TAS1R1TAAR1HPGD
SCHEMBL31401856 0.88 KDM4E (0.52) KDM4ETAS1R3TAS1R1P2RX3P2RX4
SCHEMBL4499258 0.87 KDM4E (0.54) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL21566437 0.87 KDM4E (0.54) KDM4ETAS1R3TAS1R1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117015383-A Multifunctional cyclic dinucleotide and application thereof 泰励生物科技(上海)有限公司 2023-11-07 — — CN disclosed
EP-4242218-A1 MULTIFUNCTIONAL CYCLIC DINUCLEOTIDE AND USE THEREOF Tyligand Bioscience (Shanghai) Limited (CN) 2023-09-13 — — EP disclosed
CN-115160392-A Multifunctional cyclic dinucleotide and application thereof 泰励生物科技(上海)有限公司 2022-10-11 — — CN disclosed
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