SCHEMBL9569467

SCHEMBL9569467

CCOP(=O)(C=CC(CO)OCN1CNc2c1nc(N)[nH]c2=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.52
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
BLM P54132 1/20 0.30
VCP P55072 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL9569647 0.88 HPRT1 (0.59) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9569481 0.81 HPRT1 (0.52) HPRT1
SCHEMBL7132437 0.78 HPRT1 (0.60) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL147641 0.77 HPRT1 (0.67) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL6270124 0.76 HPRT1 (0.60) HPRT1
SCHEMBL8896070 0.75 HPRT1 (0.74) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL2775722 0.75 HPRT1 (0.55) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9569453 0.74 BLM (0.61) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9569457 0.74 BLM (0.61) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL6748740 0.73 HPRT1 (0.57) HPRT1MEN1KMT2AHIF1A

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
EP-0532423-A1 Novel unsaturated acyclic phosphonate derivatives of purine and pyrimidine MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP disclosed