SCHEMBL10827332

SCHEMBL10827332

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.62
▸ AHCY P23526 3/20 0.58
▸ TK1 P04183 2/20 0.50
▸ BLM P54132 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ VCP P55072 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ PNP P00491 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ EDNRA P25101 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ HBB P68871 1/20 0.48

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
SCHEMBL10827421 1.00 ADORA3 (0.62) ADORA3AHCYTK1BLMMEN1
SCHEMBL10827165 0.90 AHCY (0.60) ADORA3AHCYTK1BLMPNP
SCHEMBL10827166 0.90 AHCY (0.60) ADORA3AHCYTK1BLMPNP
SCHEMBL29576110 0.89 ADORA3 (0.61) ADORA3TK1BLMMEN1ALDH1A1
SCHEMBL9871642 0.89 ADORA3 (0.61) ADORA3TK1BLMMEN1ALDH1A1
SCHEMBL9310744 0.89 ADORA3 (0.61) ADORA3TK1BLMMEN1ALDH1A1
SCHEMBL9503893 0.88 ADORA3 (0.60) ADORA3TK1BLMMEN1ALDH1A1
SCHEMBL9503881 0.88 ADORA3 (0.60) ADORA3TK1BLMMEN1ALDH1A1
SCHEMBL9470214 0.84 ADORA3 (0.57) ADORA3TK1BLMMEN1ALDH1A1
SCHEMBL9024987 0.83 ADORA3 (0.56) ADORA3AHCYTK1BLMMEN1

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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