SCHEMBL7669053

SCHEMBL7669053

COC(CCC(C(=O)O)n1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.48
HPRT1 P00492 5/20 0.45
XDH P47989 4/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
VCP P55072 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HINT1 P49773 1/20 0.41

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
SCHEMBL6383287 0.80 PNP (0.46) PNPHPRT1XDHMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6380559 0.80 PNP (0.49) PNPHPRT1XDHMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6380562 0.75 HPRT1 (0.51) PNPHPRT1XDHMEN1ALDH1A1
SCHEMBL7669042 0.74 HPRT1 (0.49) PNPHPRT1XDHMEN1BLM
SCHEMBL9184456 0.71 PNP (0.49) PNPHPRT1XDHMEN1ALDH1A1
SCHEMBL7778380 0.71 HINT1 (0.40) PNPHPRT1XDHMEN1KMT2A
SCHEMBL5860317 0.70 PNP (0.59) PNPHPRT1XDHMEN1ALDH1A1
SCHEMBL8743536 0.70 PNP (0.51) PNPHPRT1XDHMEN1ALDH1A1
SCHEMBL8743558 0.70 PNP (0.50) PNPHPRT1XDHMEN1ALDH1A1
SCHEMBL5168886 0.70 MEN1 (0.57) PNPHPRT1XDHMEN1ALDH1A1

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
US-6340756-B1 VIRICIDES SYNTEX (U.S.A.) INC. 2002-01-22 US disclosed