SCHEMBL9875644

SCHEMBL9875644

Nc1ncnc2c1ncn2[C@H]1CC(O)[C@@H](C(F)F)O1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 7/20 0.56
POLB P06746 1/20 0.54
ENPP1 P22413 2/20 0.53
P2RY1 P47900 1/20 0.53
ADA P00813 1/20 0.52
STING1 Q86WV6 1/20 0.52
TP53 P04637 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
APEX1 P27695 1/20 0.51
PI4KA P42356 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
ADCY1 Q08828 1/20 0.51
PI4K2B Q8TCG2 1/20 0.51
PI4K2A Q9BTU6 1/20 0.51

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
SCHEMBL9875640 1.00 AHCY (0.56) AHCYPOLBENPP1P2RY1ADA
SCHEMBL29739820 0.92 AHCY (0.55) AHCYPOLBENPP1P2RY1ADA
SCHEMBL2505364 0.92 AHCY (0.55) AHCYPOLBENPP1P2RY1ADA
SCHEMBL66046 0.92 AHCY (0.57) AHCYPOLBENPP1P2RY1ADA
SCHEMBL28121858 0.88 AHCY (0.56) AHCYPOLBENPP1P2RY1ADA
SCHEMBL4451661 0.88 AHCY (0.59) AHCYPOLBENPP1P2RY1ADA
SCHEMBL29375190 0.87 AHCY (0.55) AHCYPOLBENPP1P2RY1ADA
SCHEMBL28939795 0.87 AHCY (0.55) AHCYPOLBENPP1P2RY1ADA
SCHEMBL7192496 0.86 AHCY (0.54) AHCYPOLBENPP1P2RY1ADA
SCHEMBL5621204 0.84 AHCY (0.52) AHCYPOLBENPP1P2RY1ADA

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-4997925-A Enzyme inhibitors, viricides MERRELL DOW PHARMACEUTICALS INC. (US) 1991-03-05 US disclosed