SCHEMBL21277443

SCHEMBL21277443

O=c1[nH]c(=S)ccn1[C@H]1CC[C@@H](CCO)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 4/20 0.39
▸ P2RY2 P41231 3/20 0.39
▸ P2RY4 P51582 3/20 0.39
▸ ABL1 P00519 1/20 0.36
▸ RIN1 Q13671 1/20 0.36
▸ TK1 P04183 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ ALB P02768 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ P2RY14 Q15391 1/20 0.35
▸ SLC28A1 O00337 1/20 0.34
▸ SLC28A2 O43868 1/20 0.34
▸ SLC29A1 Q99808 1/20 0.34
▸ SLC28A3 Q9HAS3 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL5317527 0.90 ABL1 (0.45) P2RY6P2RY2P2RY4ABL1RIN1
SCHEMBL14577732 0.90 ABL1 (0.45) P2RY6P2RY2P2RY4ABL1RIN1
SCHEMBL5317524 0.90 ABL1 (0.45) P2RY6P2RY2P2RY4ABL1RIN1
SCHEMBL25718681 0.87 SLC28A1 (0.47) P2RY6P2RY2P2RY4ABL1RIN1
SCHEMBL21277453 0.87 SLC28A1 (0.47) P2RY6P2RY2P2RY4ABL1RIN1
SCHEMBL21277456 0.87 SLC28A1 (0.47) P2RY6P2RY2P2RY4ABL1RIN1
SCHEMBL21277493 0.82 SLC28A1 (0.37) P2RY6P2RY2P2RY4ABL1RIN1
SCHEMBL21277439 0.82 SLC28A1 (0.37) P2RY6P2RY2P2RY4ABL1RIN1
SCHEMBL5320623 0.80 P2RY6 (0.49) P2RY6P2RY2P2RY4TK1P2RY14
SCHEMBL10580931 0.77 ABL1 (0.45) P2RY6P2RY2P2RY4ABL1RIN1

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
EP-2931319-B1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF MODERNATX INC (US) 2019-08-21 — — EP disclosed
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