SCHEMBL6131240

SCHEMBL6131240

C=C(C=C(C)C(=O)[O-])C(N)=O.[Na+]

nearest known ligand 0.42

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 7)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 2/20 0.36
CA1 known ✓ P00915 1/20 0.33
MEN1 O00255 1/20 0.42
LDHA P00338 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL10586904 0.79 CA4 (0.36) CA4CA1
SCHEMBL23709595 0.77 TDP1 (0.43) LDHABLMTDP1
SCHEMBL21894667 0.74
SCHEMBL22369407 0.72 ALDH1A1 (0.44) TDP1
Methacrylic Acid SCHEMBL29634401 0.71 TDP1 (0.71) MEN1LDHABLMKMT2ATDP1
SCHEMBL8089675 0.71 CA4 (0.47) MEN1LDHABLMKMT2ATDP1
SCHEMBL23529425 0.69 CA4 (0.45) MEN1LDHABLMKMT2ATDP1
SCHEMBL9436292 0.69 CA4 (0.45) MEN1LDHABLMKMT2ATDP1
SCHEMBL23529424 0.69 CA4 (0.45) MEN1LDHABLMKMT2ATDP1
Acetamide SCHEMBL29378275 0.68 BLM (0.38) MEN1LDHABLMKMT2ACA4

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
US-20050032008-A1 Silver halide color photosensitive material FUJI PHOTO FILM CO., LTD. 2005-02-10 US disclosed