SCHEMBL16730119

SCHEMBL16730119

O=c1ncccn1[C@@H]1CO[C@H](CO)[C@H](O)C1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDA P32320 9/20 0.64
▸ MAPT P10636 1/20 0.64
▸ LMNA P02545 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ GMNN O75496 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ DNMT1 P26358 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ SLC28A1 O00337 1/20 0.35

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
SCHEMBL23705377 1.00 CDA (0.64) CDAMAPTLMNAMTORTHRB
SCHEMBL24256534 1.00 CDA (0.64) CDAMAPTLMNAMTORTHRB
SCHEMBL10445715 0.85 CDA (0.54) CDAMAPTLMNAMTORTHRB
SCHEMBL23705296 0.78 CDA (0.40) CDAMAPTLMNAMTORTHRB
SCHEMBL24256156 0.78 CDA (0.40) CDAMAPTLMNAMTORTHRB
Zebularine SCHEMBL11910465 0.78 CDA (1.00) CDAMAPTLMNAMTORTHRB
Zebularine SCHEMBL21842491 0.78 CDA (1.00) CDAMAPTLMNAMTORTHRB
Zebularine SCHEMBL2563757 0.78 CDA (1.00) CDAMAPTLMNAMTORTHRB
Zebularine SCHEMBL21474114 0.78 CDA (1.00) CDAMAPTLMNAMTORTHRB
Zebularine SCHEMBL1649826 0.78 CDA (1.00) CDAMAPTLMNAMTORTHRB

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
WO-2015072784-A1 MUTUAL PRODRUG COMPRISING SHORT CHAIN FATTY ACIDS AND ZEBULARINE OR 1'-CYANO-CYTARABINE FOR CANCER TREATMENT KAINOS MEDICINE, INC. (KR) 2015-05-21 — — WO disclosed
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