SCHEMBL23621966

SCHEMBL23621966

O=c1ccn(C2CCC(CO)O2)c(=S)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.45
▸ RIN1 Q13671 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALB P02768 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SLC28A1 O00337 1/20 0.41
▸ SLC28A2 O43868 1/20 0.41
▸ SLC29A1 Q99808 1/20 0.41
▸ SLC28A3 Q9HAS3 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.38
▸ P2RY14 Q15391 6/20 0.38
▸ P2RY2 P41231 2/20 0.36
▸ P2RY4 P51582 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ P2RY6 Q15077 4/20 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
SCHEMBL21277493 0.90 SLC28A1 (0.37) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL21277439 0.90 SLC28A1 (0.37) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL22110849 0.86 SLC28A1 (0.52) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL24695426 0.86 SLC28A1 (0.52) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL22110735 0.86 SLC28A1 (0.52) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL23254274 0.86 SLC28A1 (0.52) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL23254269 0.86 SLC28A1 (0.52) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL8715 0.86 SLC28A1 (0.52) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL10349394 0.86 SLC28A1 (0.52) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL543110 0.86 SLC28A1 (0.52) ABL1RIN1ALDH1A1LMNAALB

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
WO-2021137913-A2 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2021-07-08 — — WO disclosed
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