SCHEMBL17826619

SCHEMBL17826619

COP1(=S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C(O)C2O1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.49
TK1 P04183 3/20 0.47
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALB P02768 1/20 0.40
POLB P06746 1/20 0.40
ADRA1A P35348 1/20 0.40
BLM P54132 1/20 0.40
STING1 Q86WV6 5/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL17826617 0.86 DHFR (0.44) DHFRTK1ALDH1A1LMNAALB
SCHEMBL8827975 0.82 TK1 (0.52) DHFRTK1ALDH1A1LMNAALB
SCHEMBL8745678 0.82 TK1 (0.52) DHFRTK1ALDH1A1LMNAALB
SCHEMBL10239456 0.81 DHFR (0.67) DHFRTK1
SCHEMBL17826624 0.80 DHFR (0.53) DHFRTK1ALDH1A1LMNAALB
SCHEMBL17826611 0.79 DHFR (0.45) DHFRTK1
SCHEMBL5982146 0.74 ALDH1A1 (0.49) DHFRTK1ALDH1A1LMNAALB
SCHEMBL9218555 0.74 ALDH1A1 (0.49) DHFRTK1ALDH1A1LMNAALB
SCHEMBL20056925 0.73 SLC28A1 (0.43) STING1
SCHEMBL16158819 0.73 STING1 (0.33) ALDH1A1BLMSTING1PDE3BPDE3A

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
US-9365605-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-06-14 US disclosed