SCHEMBL10430809

SCHEMBL10430809

Nc1nc2c(c(=O)[nH]1)NCN2CCOCO

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 10/20 0.74
PNP P00491 3/20 0.36
BLM P54132 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
EDNRA P25101 1/20 0.35
HTR2A P28223 1/20 0.35
RECQL P46063 1/20 0.35
HBB P68871 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOS1 P29475 3/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
VCP P55072 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8149575 0.87 HPRT1 (0.60) HPRT1PNPBLMUSP2TSHR
SCHEMBL64568 0.85 HPRT1 (1.00) HPRT1PNPPOLB
Phosphoric Acid SCHEMBL3497655 0.84 HPRT1 (0.98) HPRT1PNPPOLB
SCHEMBL3836268 0.83 HPRT1 (0.61) HPRT1PNPNOS1CYP1A2
SCHEMBL9739844 0.82 HPRT1 (0.60) HPRT1PNPBLMUSP2HSD17B10
SCHEMBL146427 0.82 HPRT1 (0.61) HPRT1PNPBLMUSP2TSHR
SCHEMBL571646 0.82 HPRT1 (0.60) HPRT1PNPNOS1CYP1A2
SCHEMBL11730994 0.80 HPRT1 (0.60) HPRT1PNPBLMUSP2TSHR
SCHEMBL8842510 0.80 HPRT1 (0.58) HPRT1PNPBLMUSP2TSHR
SCHEMBL9364441 0.80 HPRT1 (0.60) HPRT1PNPUSP2HSD17B10NOS1

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-0394928-A1 Topical antiviral pharmaceutical composition containing a nonionic surfactant SYNTEX (U.S.A.) INC. (US) 1990-10-31 EP claimed