SCHEMBL10746715

SCHEMBL10746715

CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=Nc1ccc(OP(=O)([O-])[O-])c(Cl)c1.[Na+].[Na+]

nearest known ligand 0.38

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
▸ THRB known ✓ P10828 1/20 0.38
▸ P2RY1 known ✓ P47900 1/20 0.35
▸ KMT2A Q03164 6/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ RECQL P46063 2/20 0.38
▸ ALDH1A1 P00352 8/20 0.38
▸ MAPT P10636 6/20 0.38
▸ NPSR1 Q6W5P4 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ BLM P54132 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HGFAC Q04756 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36

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
SCHEMBL10745127 0.84 MEN1 (0.41) KMT2AMEN1RECQLTHRBALDH1A1
SCHEMBL10582840 0.76 MEN1 (0.43) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL10583716 0.76 MEN1 (0.43) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL9625069 0.74 MEN1 (0.60) KMT2AMEN1RECQLALDH1A1MAPT
SCHEMBL10492064 0.74 MEN1 (0.60) KMT2AMEN1RECQLALDH1A1MAPT
SCHEMBL8371765 0.74 MEN1 (0.43) KMT2AMEN1THRBALDH1A1MAPT
SCHEMBL16285337 0.72 MAPT (0.47) KMT2AMEN1RECQLTHRBALDH1A1
SCHEMBL9280194 0.70 MEN1 (0.54) KMT2AMEN1RECQLTHRBALDH1A1
SCHEMBL9280191 0.70 MEN1 (0.54) KMT2AMEN1RECQLTHRBALDH1A1
SCHEMBL6110373 0.69 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1LMNATDP1

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
JP-62275698-A — — None — — JP disclosed
JP-S62275698-A DRY-TYPE LIQUID ANALYZING ELEMENT FUJI PHOTO FILM CO LTD 1987-11-30 — — JP disclosed
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