SCHEMBL11730994

SCHEMBL11730994

Nc1nc2c(c(=O)[nH]1)NCN2COCCOCCO

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 10/20 0.60
PNP P00491 7/20 0.48
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
EDNRA P25101 1/20 0.46
HTR2A P28223 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLG P54098 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL146427 0.97 HPRT1 (0.61) HPRT1PNPUSP2TSHREDNRA
Phosphoric Acid SCHEMBL11308939 0.93 HPRT1 (0.65) HPRT1PNPUSP2TSHREDNRA
Phosphoric Acid SCHEMBL6439956 0.93 HPRT1 (0.65) HPRT1PNPUSP2TSHREDNRA
Phosphoric Acid SCHEMBL11313332 0.92 HPRT1 (0.64) HPRT1PNPUSP2TSHREDNRA
Phosphoric Acid SCHEMBL11327667 0.92 HPRT1 (0.64) HPRT1PNPUSP2TSHREDNRA
Phosphoric Acid SCHEMBL11310331 0.92 HPRT1 (0.64) HPRT1PNPUSP2TSHREDNRA
SCHEMBL8842510 0.90 HPRT1 (0.58) HPRT1PNPUSP2TSHREDNRA
SCHEMBL9057761 0.89 HPRT1 (0.59) HPRT1PNPUSP2TSHREDNRA
Water SCHEMBL11469150 0.88 HPRT1 (0.56) HPRT1PNPUSP2TSHREDNRA
SCHEMBL8149575 0.87 HPRT1 (0.60) HPRT1PNPUSP2TSHREDNRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4060616-A VIRICIDE BURROUGHS WELLCOME CO. (US) 1977-11-29 US claimed
US-4060616-A VIRICIDE BURROUGHS WELLCOME CO. (US) 1977-11-29 US disclosed
US-4060616-A VIRICIDE BURROUGHS WELLCOME CO. (US) 1977-11-29 US disclosed