SCHEMBL31331697

SCHEMBL31331697

CCCCC(=O)OC#N.[N-]=[N-].[Na+].[Na+]

nearest known ligand 0.40

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 16)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.40
CES1 P23141 3/20 0.40
DGKA P23743 1/20 0.39
CES2 O00748 2/20 0.39
LMNA P02545 3/20 0.37
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.37
PAM P19021 2/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
DNM1 Q05193 1/20 0.33

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
SCHEMBL2096732 0.94
SCHEMBL28958898 0.92 CES1 (0.43) CES1CA1DGKACES2LMNA
Ammonia Solution, Strong SCHEMBL30567344 0.92 CES1 (0.43) CES1CA1DGKACES2LMNA
SCHEMBL29350367 0.92 CES1 (0.43) CES1CA1DGKACES2LMNA
SCHEMBL5006758 0.88 DGKA (0.52) CES1DGKACES2LMNAALDH1A1
SCHEMBL8905892 0.86 DGKA (0.55) CES1DGKACES2LMNAALDH1A1
SCHEMBL27590907 0.86 DGKA (0.55) CES1DGKACES2LMNAALDH1A1
SCHEMBL11764440 0.86 DGKA (0.55) CES1DGKACES2LMNAALDH1A1
SCHEMBL29940765 0.86 DGKA (0.55) CES1DGKACES2LMNAALDH1A1
Ammonia Solution, Strong SCHEMBL27572388 0.84 DGKA (0.53) CES1DGKACES2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119264340-A Copolymer, preparation method thereof, embolic agent solution and embolic agent system 环心医疗科技(苏州)有限公司 2025-01-07 CN claimed