SCHEMBL30657810

SCHEMBL30657810

CN(C)C(=O)Cn1cnc(C(=O)[O-])c1.[Na+]

nearest known ligand 0.33

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PLA2G4A P47712 1/20 0.33
▸ GRIN2B Q13224 11/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALPL P05186 1/20 0.32
▸ PLAA Q9Y263 1/20 0.32

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
SCHEMBL30657808 0.82 ADA (0.38) PLA2G4AGRIN2BSMYD3NPSR1ALPL
SCHEMBL31285216 0.75 GRIN2B (0.36) GRIN2BNPSR1ALPLPLAA
SCHEMBL865863 0.70 KDM4C (0.40) SMN1; SMN2GRIN2BRAB9ANPSR1
SCHEMBL31591386 0.66 ALDH1A1 (0.35) SMN1; SMN2PLA2G4AGRIN2BRAB9A
SCHEMBL23361721 0.64 RAB9A (0.51) SMN1; SMN2PLA2G4ARAB9ANPSR1
SCHEMBL12159797 0.61 SMYD3 (0.50) SMN1; SMN2PLA2G4ARAB9ASMYD3
SCHEMBL2695815 0.61 ALDH1A1 (0.62) —
SCHEMBL4469484 0.60 ALDH1A1 (0.40) SMN1; SMN2GRIN2BNPSR1
SCHEMBL25153647 0.60 NOTUM (0.51) RAB9ASMYD3
SCHEMBL6335415 0.60 SMYD3 (0.52) SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519258-A1 INHIBITORS OF CDK8 AND CDK19 University of Dundee (GB) 2025-03-12 — — EP disclosed
CN-119255991-A Inhibitors of CDK8 and CDK19 敦提大学 2025-01-03 — — CN disclosed
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