SCHEMBL11588071

SCHEMBL11588071

Cc1ccc(NC(=O)Nc2ccc(C)c(C(=O)Nc3cc(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(O)c34)c2)cc1C(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c12.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.56

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
▸ FGF1 known ✓ P05230 1/20 0.43
▸ CA2 known ✓ P00918 1/20 0.41
▸ SIRT1 Q96EB6 2/20 0.56
▸ PRMT1 Q99873 2/20 0.56
▸ PTPN1 P18031 2/20 0.46
▸ APEX1 P27695 4/20 0.45
▸ LMNA P02545 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ PKM P14618 3/20 0.44
▸ NFKB1 P19838 3/20 0.44
▸ RECQL P46063 3/20 0.44
▸ BLM P54132 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ STAT1 P42224 3/20 0.44
▸ STAT5A P42229 3/20 0.44
▸ STAT5B P51692 3/20 0.44
▸ TSHR P16473 2/20 0.44

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
SCHEMBL11588083 0.89 APEX1 (0.58) SIRT1PRMT1PTPN1APEX1MAPT
SCHEMBL11589832 0.86 PTPN1 (0.47) SIRT1PRMT1PTPN1APEX1LMNA
SCHEMBL11588090 0.84 MAPT (0.61) SIRT1PRMT1PTPN1APEX1LMNA
SCHEMBL11338954 0.80 APEX1 (0.49) SIRT1PRMT1PTPN1APEX1POLB
SCHEMBL11350863 0.80 PRMT1 (0.51) SIRT1PRMT1PTPN1APEX1POLB
SCHEMBL11588299 0.80 P2RY11 (0.54) SIRT1PRMT1PTPN1APEX1LMNA
SCHEMBL11512944 0.79 TIMP3 (0.52) SIRT1PRMT1PTPN1APEX1MAPT
SCHEMBL11341747 0.77 PRMT1 (0.50) SIRT1PRMT1LMNAPOLBKMT2A
SCHEMBL11432642 0.77 DUSP5 (0.54) SIRT1PRMT1APEX1LMNAPOLB
SCHEMBL11139657 0.75 APEX1 (0.51) SIRT1PRMT1PTPN1APEX1LMNA

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-4127602-A Methyl substituted hydroxynaphthalenesulfonic acid ureides and salts as complement inhibitors AMERICAN CYANAMID COMPANY (US) 1978-11-28 — — US claimed
US-4127602-A Methyl substituted hydroxynaphthalenesulfonic acid ureides and salts as complement inhibitors AMERICAN CYANAMID COMPANY (US) 1978-11-28 — — US disclosed
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