SCHEMBL7400125

SCHEMBL7400125

O=C(CCn1cnc2c(=O)[nH]cnc21)NCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 17/20 0.50
PNP P00491 3/20 0.46
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
EDNRA P25101 1/20 0.44
HTR2A P28223 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
HBB P68871 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7399609 0.89 HPRT1 (0.56) HPRT1PNP
SCHEMBL7399237 0.86 HPRT1 (0.48) HPRT1PNP
SCHEMBL7567140 0.85 PNP (0.64) HPRT1PNPUSP2TSHREDNRA
SCHEMBL7402410 0.85 HPRT1 (0.57) HPRT1PNP
SCHEMBL9561541 0.84 HPRT1 (0.63) HPRT1PNPUSP2TSHREDNRA
SCHEMBL7398541 0.83 HPRT1 (0.55) HPRT1PNP
SCHEMBL7399531 0.83 HPRT1 (0.55) HPRT1PNP
SCHEMBL7392166 0.82 HPRT1 (0.54) HPRT1PNP
SCHEMBL9535314 0.81 HPRT1 (0.53) HPRT1PNP
SCHEMBL7393176 0.81 HPRT1 (0.53) HPRT1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522082-B1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE GLASKY ALVIN J (US) 1997-07-02 EP disclosed
EP-0522082-A4 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE 1993-06-09 EP disclosed
EP-0522082-A1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE. GLASKY ALVIN J (US) 1993-01-13 EP disclosed
US-5091432-A Synergistic SPECTRUM PHARMACEUTICALS, INC. 1992-02-25 US disclosed
WO-1991014434-A1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE GLASKY ALVIN J (US) 1991-10-03 WO disclosed