SCHEMBL21035550

SCHEMBL21035550

Cc1cc2cn(C3OC(COP(O)O)C(O)C3O)c(=O)nc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 5/20 0.39
P2RY2 P41231 5/20 0.39
P2RY4 P51582 3/20 0.39
LMNA P02545 2/20 0.37
MTOR P42345 2/20 0.37
THRB P10828 1/20 0.37
MDM2 Q00987 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
GMNN O75496 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
DNMT1 P26358 1/20 0.37
THPO P40225 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
HBB P68871 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL5997378 0.86 LMNA (0.51) LMNAMTORTHRBMDM2NCOA1
SCHEMBL16631345 0.86 LMNA (0.51) LMNAMTORTHRBMDM2NCOA1
SCHEMBL10132924 0.86 DNPH1 (0.53) P2RY6P2RY2P2RY4TAS1R3TAS1R1
SCHEMBL18158961 0.86 DNPH1 (0.53) P2RY6P2RY2P2RY4TAS1R3TAS1R1
SCHEMBL18852429 0.81 LMNA (0.37) LMNAMTORTHRBMDM2NCOA1
SCHEMBL18080319 0.81 P2RY2 (0.61) P2RY6P2RY2P2RY4
SCHEMBL21276421 0.80 LMNA (0.39) LMNAMTORTHRBMDM2NCOA1
SCHEMBL15305428 0.80 P2RY2 (0.41) P2RY6P2RY2P2RY4LMNAMTOR
SCHEMBL24798428 0.78 LMNA (0.45) P2RY6P2RY2LMNAMTORTHRB
SCHEMBL27054170 0.77 TK2 (0.40) LMNAMTORTHRBMDM2NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4108671-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ModernaTX, Inc. (US) 2022-12-28 EP disclosed
EP-3590949-B1 RIBONUCLEIC ACIDS CONTAINING N1-METHYL-PSEUDOURACILS AND USES THEREOF MODERNATX INC (US) 2022-05-18 EP disclosed
EP-3590949-A1 RIBONUCLEIC ACIDS CONTAINING N1-METHYL-PSEUDOURACILS AND USES THEREOF ModernaTX, Inc. (US) 2020-01-08 EP disclosed
EP-2622064-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2019-05-29 EP disclosed