SCHEMBL8675095

SCHEMBL8675095

[Na+].[S-]c1ccc(I)cc1

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL10597056 0.76 HDAC8 (0.50) —
SCHEMBL67142 0.76 — —
SCHEMBL2069523 0.65 METAP2 (0.42) —
SCHEMBL75931 0.65 METAP2 (0.42) —
SCHEMBL9576929 0.65 HDAC8 (0.41) —
SCHEMBL66792 0.65 METAP2 (0.42) —
SCHEMBL8795882 0.64 — —
SCHEMBL9289157 0.64 — —
SCHEMBL4435080 0.64 — —
SCHEMBL8669075 0.64 CA3 (0.57) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789584-A Substituted-pyridinyl cephalosporin antibiotics active against methicillin resistant bacteria MICROCIDE PHARMACEUTICALS, INC. (US) 1998-08-04 — — US disclosed
US-5756493-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1998-05-26 — — US disclosed
US-5698547-A 7-(ACYLAMINO)-3-(ARYLTHIO)-3-CEPHEM-4-CARBOXYLIC ACIDS WHICH EXHIBIT ANTIBACTERIAL ACTIVITY AGAINST ORGANISMS RESISTANT TO BETA-LACTAM ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1997-12-16 — — US disclosed
US-5607926-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-03-04 — — US disclosed
US-5604218-A EXHIBITS ACTIVITY AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-02-18 — — US disclosed
US-5593986-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS, INC. (US) 1997-01-14 — — US disclosed
WO-1996038450-A1 CEPHALOSPORIN ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1996-12-05 — — WO disclosed
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