SCHEMBL11565611

SCHEMBL11565611

Nc1ccc(C(=O)Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c23)c(S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+]

nearest known ligand 0.49

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
▸ APEX1 P27695 6/20 0.49
▸ PTPN1 P18031 2/20 0.48
▸ DUSP5 Q16690 1/20 0.46
▸ SIRT1 Q96EB6 3/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ SIRT2 Q8IXJ6 2/20 0.39
▸ POLB P06746 5/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ GRK2 P25098 1/20 0.38
▸ PLEC Q15149 1/20 0.38
▸ TDP1 Q9NUW8 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ PKM P14618 3/20 0.37
▸ NFKB1 P19838 3/20 0.37
▸ RECQL P46063 3/20 0.37
▸ P2RX1 P51575 3/20 0.37

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
SCHEMBL11426252 0.91 SIRT2 (0.44) APEX1PTPN1DUSP5SIRT1SIRT2
SCHEMBL11137094 0.90 DUSP5 (0.55) APEX1PTPN1DUSP5SIRT1PRMT1
SCHEMBL11433046 0.86 DUSP5 (0.51) APEX1DUSP5SIRT1SIRT2POLB
SCHEMBL11589832 0.86 PTPN1 (0.47) APEX1PTPN1DUSP5SIRT1PRMT1
SCHEMBL11444031 0.85 SIRT1 (0.52) APEX1DUSP5SIRT1PRMT1SIRT2
SCHEMBL11432535 0.84 FGF1 (0.43) APEX1DUSP5SIRT1PRMT1SIRT2
SCHEMBL11565618 0.84 APEX1 (0.60) APEX1PRMT1POLBKMT2AMEN1
SCHEMBL11433136 0.84 APEX1 (0.51) APEX1PTPN1DUSP5SIRT1PRMT1
SCHEMBL11589914 0.84 APEX1 (0.59) APEX1PTPN1DUSP5SIRT1PRMT1
SCHEMBL11432310 0.83 SIRT1 (0.41) APEX1DUSP5SIRT1PRMT1SIRT2

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
US-4177209-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1979-12-04 — — US disclosed
US-4129590-A INHIBITORS OF THE COMPLEMENT SYSTEM AMERICAN CYANAMID COMPANY (US) 1978-12-12 — — US disclosed
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