SCHEMBL9309013

SCHEMBL9309013

Nc1nc2c(c(=O)[nH]1)NCN2[C@@H]1C[C@H](CO)[C@@H](CO)C[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 7/20 0.42
▸ PNP P00491 4/20 0.38
▸ NOS1 P29475 4/20 0.34
▸ TK1 P04183 1/20 0.34
▸ PAH P00439 1/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ TLR7 Q9NYK1 2/20 0.31

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
SCHEMBL9309119 1.00 HPRT1 (0.42) HPRT1PNPNOS1TK1PAH
SCHEMBL9020140 0.91 HPRT1 (0.42) HPRT1PNPNOS1PAH
SCHEMBL7166497 0.88 HPRT1 (0.42) HPRT1PNPNOS1PAHNOS3
SCHEMBL598708 0.88 HPRT1 (0.42) HPRT1PNPNOS1PAHNOS3
SCHEMBL9615455 0.88 HPRT1 (0.42) HPRT1PNPNOS1PAHNOS3
SCHEMBL3436892 0.86 HPRT1 (0.43) HPRT1PNPNOS1TK1NOS3
SCHEMBL10395198 0.86 HPRT1 (0.43) HPRT1PNPNOS1TK1NOS3
SCHEMBL9706279 0.84 HPRT1 (0.41) HPRT1NOS1PAHNOS3NOS2
SCHEMBL9706188 0.84 HPRT1 (0.39) HPRT1NOS1PAHTLR7
SCHEMBL9308669 0.82 HPRT1 (0.41) HPRT1PNPNOS1TK1NOS3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374625-A Bis/hydroxymethyl/cycloalkyl derivatives; viricides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-12-20 — — US disclosed
EP-0468352-A2 Novel nucleic acid derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-01-29 — — EP disclosed
Send feedback