SCHEMBL10745127

SCHEMBL10745127

CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=Nc1ccc(OP(=O)([O-])[O-])cc1.[Na+].[Na+]

nearest known ligand 0.41

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
▸ CA1 known ✓ P00915 2/20 0.39
▸ CA2 known ✓ P00918 2/20 0.39
▸ THRB known ✓ P10828 2/20 0.36
▸ PDE4A known ✓ P27815 1/20 0.35
▸ PDE4B known ✓ Q07343 1/20 0.35
▸ PDE4D known ✓ Q08499 1/20 0.35
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ APEX1 P27695 2/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ NPC1 O15118 2/20 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
SCHEMBL10746715 0.84 KMT2A (0.38) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL9625069 0.80 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10492064 0.80 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL9280194 0.76 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL9280191 0.76 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10583716 0.74 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10582840 0.74 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8371765 0.73 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTLMNA
P-Nitrophenylphosphate SCHEMBL168768 0.72 CA1 (0.69) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL11225620 0.71 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPTLMNA

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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