SCHEMBL21376540

SCHEMBL21376540

CCC(C)C(=O)Nc1nc2c(ncn2[C@H]2CC[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ ALB P02768 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ CYP1A2 P05177 1/20 0.46
▸ POLA1 P09884 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ RIN1 Q13671 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL18963575 1.00 ALDH1A1 (0.55) ALDH1A1LMNAALBMAPK1KDM4E
SCHEMBL21392956 0.93 KDM4E (0.62) ALDH1A1LMNAALBMAPK1KDM4E
SCHEMBL1697216 0.93 KDM4E (0.62) ALDH1A1LMNAALBMAPK1KDM4E
SCHEMBL22990581 0.93 KDM4E (0.62) ALDH1A1LMNAALBMAPK1KDM4E
SCHEMBL3484940 0.93 KDM4E (0.62) ALDH1A1LMNAALBMAPK1KDM4E
SCHEMBL21393208 0.87 KDM4E (0.58) ALDH1A1LMNAALBMAPK1KDM4E
SCHEMBL21393002 0.86 TAS1R3 (0.48) ALDH1A1LMNAALBMAPK1KDM4E
SCHEMBL27093012 0.85 ALDH1A1 (0.63) ALDH1A1LMNAALBMAPK1KDM4E
SCHEMBL21393042 0.84 KDM4E (0.57) ALDH1A1LMNAALBMAPK1KDM4E
SCHEMBL26196576 0.84 KDM4E (0.57) ALDH1A1LMNAALBMAPK1KDM4E

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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