SCHEMBL21376542

SCHEMBL21376542

CC(C)C(=O)Nc1nc2c(ncn2C2CC[C@@H](COP(OCCC#N)N(C(C)C)C(C)C)O2)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALB P02768 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP1A2 P05177 1/20 0.33
▸ POLA1 P09884 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HINT1 P49773 4/20 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
SCHEMBL19146388 1.00 KDM4E (0.49) KDM4ETAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL24197308 1.00 KDM4E (0.49) KDM4ETAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL26049120 0.90 KDM4E (0.47) KDM4ETAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL26152399 0.89 KDM4E (0.48) KDM4ETAS1R3TAS1R1ALDH1A1POLA1
SCHEMBL19146416 0.88 KDM4E (0.47) KDM4ETAS1R3TAS1R1POLA1
SCHEMBL20833440 0.87 KDM4E (0.49) KDM4ETAS1R3TAS1R1ALDH1A1POLA1
SCHEMBL20833132 0.86 KDM4E (0.48) KDM4ETAS1R3TAS1R1ALDH1A1POLA1
SCHEMBL24102841 0.84 KDM4E (0.54) KDM4ETAS1R3TAS1R1ALDH1A1POLA1
SCHEMBL23898886 0.84 KDM4E (0.54) KDM4ETAS1R3TAS1R1ALDH1A1POLA1
SCHEMBL21171850 0.84 KDM4E (0.46) KDM4ETAS1R3TAS1R1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3922637-A1 MODIFIED OLIGONUCLEOTIDES FOR USE IN TREATMENT OF TAUOPATHIES Janssen Pharmaceutica NV (BE) 2021-12-15 — — EP disclosed
WO-2019175260-A2 MODIFIED OLIGONUCLEOTIDES AND METHODS OF USE IN TAUOPATHIES JANSSEN PHARMACEUTICA NV (BE) 2019-09-19 — — WO disclosed
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