SCHEMBL9561541

SCHEMBL9561541

O=c1[nH]cnc2c1ncn2CCOCCO

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 15/20 0.63
PNP P00491 3/20 0.55
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
EDNRA P25101 1/20 0.53
HTR2A P28223 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
HBB P68871 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL7061693 0.88 HPRT1 (0.73) HPRT1PNPUSP2TSHREDNRA
SCHEMBL11258920 0.86 HPRT1 (0.69) HPRT1PNP
SCHEMBL7400125 0.84 HPRT1 (0.50) HPRT1PNPUSP2TSHREDNRA
SCHEMBL8422749 0.83 HPRT1 (0.70) HPRT1PNP
SCHEMBL7812374 0.82 HPRT1 (0.70) HPRT1PNP
SCHEMBL2346358 0.82 PNP (0.79) HPRT1PNPUSP2TSHREDNRA
SCHEMBL20782416 0.77 HPRT1 (0.65) HPRT1PNP
SCHEMBL7374581 0.76 HPRT1 (0.64) HPRT1PNP
SCHEMBL14094296 0.75 HPRT1 (0.61) HPRT1PNP
SCHEMBL3060815 0.75 HPRT1 (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346460-B1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION CO PHARMA CORPORATION (IT) 1993-03-10 EP disclosed
EP-0346460-A1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION. CO PHARMA CORP SRL (IT) 1989-12-20 EP disclosed
WO-1989005818-A1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION CO PHARMA CORPORATION S.R.L. (IT) 1989-06-29 WO disclosed