SCHEMBL9548837

SCHEMBL9548837

Nc1nc2c(ncn2[C@H]2CC[C@@](/C=N\O)(CO)O2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.49
TK1 P04183 2/20 0.44
PNP P00491 3/20 0.42
POLB P06746 1/20 0.42
HPRT1 P00492 2/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
EDNRA P25101 1/20 0.40
HTR2A P28223 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
STING1 Q86WV6 1/20 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
SCHEMBL9548850 1.00 ADORA3 (0.49) ADORA3TK1PNPPOLBHPRT1
SCHEMBL15075488 0.89 ADORA3 (0.51) ADORA3TK1PNPPOLBHPRT1
SCHEMBL9548786 0.85 ALDH1A1 (0.54) ADORA3PNPHPRT1STING1
SCHEMBL9548765 0.83 ADORA3 (0.55) ADORA3TK1PNPPOLBHPRT1
SCHEMBL9548794 0.82 AHCY (0.43) ADORA3PNPPDE3A
SCHEMBL20327064 0.81 ADORA3 (0.53) ADORA3TK1PNPPOLBHPRT1
SCHEMBL20879513 0.81 ADORA3 (0.53) ADORA3TK1PNPPOLBHPRT1
SCHEMBL22241500 0.80 ADORA3 (0.52) ADORA3TK1PNPPOLBHPRT1
SCHEMBL26693534 0.80 ADORA3 (0.52) ADORA3TK1PNPPOLBHPRT1
SCHEMBL9548610 0.79 PI4K2A (0.49) ADORA3BLMHSD17B10

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-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed