SCHEMBL30203159

SCHEMBL30203159

COC(=O)c1ccc(CC2(C)C(C)=Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c32)cc1.[Na+].[Na+]

nearest known ligand 0.37

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 20)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.34
CA1 known ✓ P00915 1/20 0.34
CA2 known ✓ P00918 1/20 0.34
POLB P06746 3/20 0.35
DUSP5 Q16690 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MAPT P10636 2/20 0.34
NAMPT P43490 1/20 0.34
P2RY11 Q96G91 4/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 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
SCHEMBL29154638 0.88 LOXL2 (0.35) POLBCA12CA1CA2CA9
SCHEMBL22850499 0.78 LCK (0.32) MAPTP2RY11KMT2AMEN1PKM
SCHEMBL30203144 0.77 POLB (0.32) POLBDUSP5CA12CA1CA2
Potassium Ion SCHEMBL4886117 0.73 FOLH1 (0.35)
Potassium Ion SCHEMBL9929223 0.73
Potassium Ion SCHEMBL14695214 0.73 MEN1 (0.43) KMT2AMEN1LMNATDP1
SCHEMBL29331376 0.66 FOLH1 (0.32) CYP2C9HSD17B10
SCHEMBL1940362 0.64 CA1 (0.61) POLBCA12CA1CA2CA9
SCHEMBL29727675 0.63 RXRA (0.38) CA12CA1CA2CA9CA14
SCHEMBL28636125 0.63 RXRA (0.38) CA12CA1CA2CA9CA14

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-4373891-A2 AZAINDOLE CYANINE DYES, USES, AND METHODS OF PREPARATION Life Technologies Corporation (US) 2024-05-29 EP disclosed
WO-2023004356-A2 AZAINDOLE CYANINE DYES, USES, AND METHODS OF PREPARATION Life Technologies Corporation (US) 2023-01-26 WO disclosed