SCHEMBL7669042

SCHEMBL7669042

COC(C(=O)OCCCOCc1ccccc1)n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 5/20 0.49
PNP P00491 11/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HBB P68871 2/20 0.45
MAPK1 P28482 1/20 0.45
XDH P47989 2/20 0.42
HINT1 P49773 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
EDNRA P25101 1/20 0.42
HTR2A P28223 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7919757 0.78 PNP (0.57) HPRT1PNPMEN1KMT2AHBB
Hydrochloric Acid SCHEMBL6380562 0.78 HPRT1 (0.51) HPRT1PNPMEN1KMT2AHBB
SCHEMBL9187381 0.77 PNP (0.56) HPRT1PNPHBBXDHUSP2
SCHEMBL8743536 0.75 PNP (0.51) HPRT1PNPMEN1KMT2AHBB
SCHEMBL9747416 0.75 HPRT1 (0.45) HPRT1PNPMEN1KMT2AXDH
SCHEMBL8743558 0.75 PNP (0.50) HPRT1PNPMEN1KMT2AHBB
SCHEMBL9740943 0.75 PNP (0.67) HPRT1PNPMEN1KMT2AHBB
SCHEMBL7669053 0.74 PNP (0.48) HPRT1PNPMEN1KMT2AXDH
SCHEMBL6383287 0.74 PNP (0.46) HPRT1PNPMEN1KMT2AXDH
Hydrochloric Acid SCHEMBL6380559 0.74 PNP (0.49) HPRT1PNPMEN1KMT2AHBB

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