SCHEMBL9309770

SCHEMBL9309770

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 8/20 0.41
▸ NOS1 P29475 5/20 0.33
▸ PNP P00491 2/20 0.33
▸ PAH P00439 1/20 0.33
▸ NOS3 P29474 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ PMP22 Q01453 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9309980 1.00 HPRT1 (0.41) HPRT1NOS1PNPPAHNOS3
SCHEMBL598708 0.89 HPRT1 (0.42) HPRT1NOS1PNPPAHNOS3
SCHEMBL9615455 0.89 HPRT1 (0.42) HPRT1NOS1PNPPAHNOS3
SCHEMBL7166497 0.89 HPRT1 (0.42) HPRT1NOS1PNPPAHNOS3
SCHEMBL9310753 0.83 HPRT1 (0.46) HPRT1NOS1PAHNOS3NOS2
SCHEMBL9309013 0.82 HPRT1 (0.42) HPRT1NOS1PNPPAHNOS3
SCHEMBL9020140 0.82 HPRT1 (0.42) HPRT1NOS1PNPPAH
SCHEMBL9309119 0.82 HPRT1 (0.42) HPRT1NOS1PNPPAHNOS3
SCHEMBL9308669 0.81 HPRT1 (0.41) HPRT1NOS1PNPNOS3NOS2
SCHEMBL9309722 0.81 HPRT1 (0.41) HPRT1NOS1PNPNOS3NOS2

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-5374625-A Bis/hydroxymethyl/cycloalkyl derivatives; viricides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-12-20 — — US disclosed
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