SCHEMBL10827166

SCHEMBL10827166

Nc1nc2c(ncn2[C@@H]2C(O)C(O)[C@H](CO)[C@@H]2F)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.60
▸ ADORA3 P0DMS8 1/20 0.59
▸ TK1 P04183 2/20 0.47
▸ PNP P00491 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ EDNRA P25101 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ HBB P68871 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ STING1 Q86WV6 2/20 0.45
▸ HINT1 P49773 1/20 0.45
▸ NT5E P21589 1/20 0.45
▸ HPRT1 P00492 1/20 0.44

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
SCHEMBL10827165 1.00 AHCY (0.60) AHCYADORA3TK1PNPUSP2
SCHEMBL10827332 0.90 ADORA3 (0.62) AHCYADORA3TK1PNPUSP2
SCHEMBL10827421 0.90 ADORA3 (0.62) AHCYADORA3TK1PNPUSP2
SCHEMBL9024987 0.90 ADORA3 (0.56) AHCYADORA3TK1PNPUSP2
SCHEMBL9024995 0.90 ADORA3 (0.56) AHCYADORA3TK1PNPUSP2
SCHEMBL29576110 0.86 ADORA3 (0.61) ADORA3TK1PNPUSP2TSHR
SCHEMBL9871642 0.86 ADORA3 (0.61) ADORA3TK1PNPUSP2TSHR
SCHEMBL9310744 0.86 ADORA3 (0.61) ADORA3TK1PNPUSP2TSHR
SCHEMBL9503881 0.85 ADORA3 (0.60) ADORA3TK1PNPUSP2TSHR
SCHEMBL9503893 0.85 ADORA3 (0.60) ADORA3TK1PNPUSP2TSHR

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-4605659-A HERPES; HEPATITUS SYNTEX (U.S.A.) INC. (US) 1986-08-12 — — US claimed
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