SCHEMBL18280905

SCHEMBL18280905

N#C[C@]1(n2cnc(N)nc2=O)C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 2/20 0.48
ADRB1 P08588 1/20 0.48
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MTOR P42345 2/20 0.45
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
BLM P54132 1/20 0.45
HBB P68871 1/20 0.45
PMP22 Q01453 1/20 0.45
PDE4D Q08499 1/20 0.31
PDE3A Q14432 1/20 0.31
SLC29A1 Q99808 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
THRB P10828 1/20 0.31
MDM2 Q00987 1/20 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
SCHEMBL21100416 0.84 PDE3A (0.45) DNMT1ADRB1LMNAALDH1A1MTOR
SCHEMBL28042109 0.81 DNMT1 (0.50) DNMT1ADRB1LMNAALDH1A1MTOR
SCHEMBL21211653 0.81 DNMT1 (0.50) DNMT1ADRB1LMNAALDH1A1MTOR
SCHEMBL5076381 0.81 DNMT1 (0.49) DNMT1ADRB1LMNAALDH1A1MTOR
SCHEMBL29577808 0.80 DNMT1 (0.48) DNMT1ADRB1LMNAALDH1A1MTOR
SCHEMBL29577527 0.78 DNMT1 (0.45) DNMT1ADRB1LMNAALDH1A1MTOR
SCHEMBL18285448 0.78 LMNA (0.48) DNMT1ADRB1LMNAALDH1A1MTOR
SCHEMBL29578057 0.78 DNMT1 (0.47) DNMT1ADRB1LMNAALDH1A1MTOR
SCHEMBL29577593 0.78 DNMT1 (0.47) DNMT1ADRB1LMNAALDH1A1MTOR
SCHEMBL29578007 0.77 DNMT1 (0.46) DNMT1ADRB1LMNAALDH1A1MTOR

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
WO-2016195353-A1 A USE OF 1'-CYANO-CYTARABINE FOR CANCER TREATMENT KAINOS MEDICINE, INC. (KR) 2016-12-08 WO disclosed
WO-2016195353-A1 A USE OF 1'-CYANO-CYTARABINE FOR CANCER TREATMENT KAINOS MEDICINE, INC. (KR) 2016-12-08 WO disclosed