SCHEMBL9150473

SCHEMBL9150473

Nc1ncc2ncn([C@@H]3O[C@H](CI)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ SLC29A1 Q99808 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ GMNN O75496 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ DNMT1 P26358 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ MTOR P42345 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ HBB P68871 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ CYP2C19 P33261 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ PGK1 P00558 1/20 0.47

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
SCHEMBL1494485 0.89 KDM4E (0.69) KDM4EPKMSLC29A1LMNAGMNN
SCHEMBL23710624 0.89 KDM4E (0.69) KDM4EPKMSLC29A1LMNAGMNN
SCHEMBL1494490 0.89 KDM4E (0.69) KDM4EPKMSLC29A1LMNAGMNN
SCHEMBL29471286 0.89 KDM4E (0.69) KDM4EPKMSLC29A1LMNAGMNN
SCHEMBL3470176 0.81 FBP1 (0.64) ADORA1NT5E
SCHEMBL9153707 0.81 NT5E (0.64) SLC29A1LMNACYP2C19ADORA3ADORA1
SCHEMBL8970966 0.79 ADORA3 (0.60) KDM4EPKMSLC29A1LMNAGMNN
SCHEMBL8970975 0.79 ADORA3 (0.60) KDM4EPKMSLC29A1LMNAGMNN
SCHEMBL9153207 0.79 ADRB1 (0.52) LMNATP53DNMT1HTTHBB
SCHEMBL9153212 0.79 ADRB1 (0.52) LMNATP53DNMT1HTTHBB

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-5449664-A Nucleosides SYNTEX (U.S.A.) INC. (US) 1995-09-12 — — US disclosed
EP-0457326-A1 Antiviral agents SYNTEX (U.S.A.) INC. (US) 1991-11-21 — — EP disclosed
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