SCHEMBL21887933

SCHEMBL21887933

NC(=O)c1ncn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c1O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATIC P31939 2/20 0.57
FBP1 P09467 1/20 0.57
POLB P06746 2/20 0.48
NT5E P21589 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 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
SCHEMBL13530212 0.84 KDM4E (0.62) KDM4EALDH1A1GAAHTTBLM
SCHEMBL24767734 0.83 FBP1 (0.57) ATICFBP1POLBNT5E
SCHEMBL21887926 0.81 ATIC (0.50) ATICFBP1KDM4EALDH1A1GAA
Mizoribine Monophosphate SCHEMBL16329889 0.81 ATIC (0.80) ATICFBP1KDM4EALDH1A1GAA
Mizoribine Monophosphate SCHEMBL12727826 0.81 ATIC (0.80) ATICFBP1KDM4EALDH1A1GAA
SCHEMBL29619496 0.80 FBP1 (0.56) ATICFBP1POLBNT5E
SCHEMBL21888939 0.80 ATIC (0.48) ATICFBP1KDM4EALDH1A1GAA
SCHEMBL21887947 0.78 TYMS (0.47)
SCHEMBL1152822 0.77 ADRB1 (0.71) POLBNT5E
SCHEMBL20419993 0.77 KDM4E (0.40) ATICFBP1KDM4EALDH1A1GAA

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-2020072931-A2 PRE-ACTIVATED NUCLEOSIDE IMPDH INHIBITORS AS ANTI-INFECTIVE DRUGS OCTAGON THERAPEUTICS INC. (US) 2020-04-09 WO disclosed