SCHEMBL31244582

SCHEMBL31244582

CO[C@@]1(n2cnc3c(=O)[nH]c(N)nc32)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.44
HPGD P15428 1/20 0.42
POLB P06746 2/20 0.41
HPRT1 P00492 6/20 0.41
PNP P00491 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TGM2 P21980 1/20 0.41
FUT5 Q11128 1/20 0.40
HINT1 P49773 1/20 0.40
POLG P54098 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
EDNRA P25101 1/20 0.40
HTR2A P28223 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL31244578 0.92 HPGD (0.41) NT5EHPGDPOLBHPRT1PNP
SCHEMBL27173493 0.88 NT5E (0.43) NT5EHPGDPOLBHPRT1PNP
SCHEMBL14782967 0.86 HPGD (0.46) NT5EHPGDPNPTGM2HINT1
SCHEMBL29408561 0.86 NT5E (0.43) NT5EPOLBHPRT1PNPPOLG
SCHEMBL29093615 0.83 NT5E (0.52) NT5EPOLBPNPTAS1R3TAS1R1
SCHEMBL31244580 0.82 ADORA1 (0.57) TAS1R3TAS1R1ADORA1
SCHEMBL26906437 0.82 PNP (0.40) NT5EPOLBHPRT1PNPTGM2
SCHEMBL30603197 0.80 TGM2 (0.54) NT5EPOLBPNPTAS1R3TAS1R1
SCHEMBL30697339 0.80 TGM2 (0.53) NT5EPOLBPNPTAS1R3TAS1R1
SCHEMBL30411581 0.79 NT5E (0.45) NT5EPOLBHPRT1PNPTGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120118909-A SiRNA duplex for targeted regulation of LPA gene expression and application thereof in preventing and treating cardiovascular and cerebrovascular related diseases 北京悦康科创医药科技股份有限公司 2025-06-10 CN disclosed
CN-119799705-A SiRNA for targeted regulation of HBV gene expression and application thereof 杭州天龙药业有限公司 2025-04-11 CN disclosed
CN-119799706-A SiRNA for targeted regulation of HBV gene expression and application thereof 杭州天龙药业有限公司 2025-04-11 CN disclosed
CN-119752912-A SiRNA for targeted regulation of HBV gene expression and application thereof 杭州天龙药业有限公司 2025-04-04 CN disclosed
CN-119040330-B SiRNA for regulating and controlling AGT gene expression and application thereof 北京悦康科创医药科技股份有限公司 2025-03-04 CN disclosed
CN-119040330-A SiRNA for regulating and controlling AGT gene expression and application thereof 北京悦康科创医药科技股份有限公司 2024-11-29 CN disclosed
CN-118995714-A SiRNA for targeted inhibition of AGT gene expression and application thereof in treatment of hypertension 北京悦康科创医药科技股份有限公司 2024-11-22 CN disclosed