E626

E626

SCHEMBL29723939

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+]

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of E626. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IMPDH2 known ✓ P12268 6/20 0.65
IMPDH1 known ✓ P20839 2/20 0.65
NT5E P21589 1/20 0.79
TGM2 P21980 1/20 0.73
KRAS P01116 8/20 0.66
HINT1 P49773 1/20 0.65
FUT5 Q11128 1/20 0.65
DCPS Q96C86 1/20 0.62
TAS1R3 Q7RTX0 1/20 0.62
TAS1R1 Q7RTX1 1/20 0.62

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
E626 SCHEMBL2717837 0.94 NT5E (0.78) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL29899703 0.94 NT5E (0.78) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL1072983 0.94 NT5E (0.78) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL27969015 0.94 NT5E (0.77) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL29804534 0.94 NT5E (0.77) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL9650300 0.94 NT5E (0.77) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL28786050 0.94 NT5E (0.77) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL28495034 0.94 NT5E (0.77) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL3802708 0.94 NT5E (0.77) NT5ETGM2KRASHINT1FUT5
SCHEMBL5172376 0.93 NT5E (0.74) NT5ETGM2KRASHINT1FUT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022127326-A1 PROTEIN AND MULTI-STAGE POROUS METAL-ORGANIC FRAMEWORK COMPLEX, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 华南理工大学 2022-06-23 WO claimed
CN-119552844-A In-vitro two-step enzymatic process for efficiently synthesizing GDP-L-fucose and application thereof 深圳瑞德林生物技术有限公司 2025-03-04 CN disclosed
US-20230041289-A1 COMPOSITIONS AND METHODS FOR ENHANCING OR TREATING FEMALE SEXUAL RESPONSE T K INC APS (DK) 2023-02-09 US disclosed
WO-2022127326-A1 PROTEIN AND MULTI-STAGE POROUS METAL-ORGANIC FRAMEWORK COMPLEX, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 华南理工大学 2022-06-23 WO disclosed