SCHEMBL30873108

SCHEMBL30873108

O=[N+]([O-])c1ccc2nc(NS(=O)(=O)[O-])sc2c1.[Na+]

nearest known ligand 0.68

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 0.60
▸ CA2 known ✓ P00918 1/20 0.58
▸ PDK1 known ✓ Q15118 1/20 0.55
▸ KMT2A Q03164 5/20 0.68
▸ MEN1 O00255 4/20 0.68
▸ PKM P14618 1/20 0.68
▸ NPC1 O15118 2/20 0.67
▸ PTPN1 P18031 2/20 0.61
▸ ACP1 P24666 2/20 0.61
▸ DYRK1A Q13627 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ FSCN1 Q16658 2/20 0.60
▸ CA5A P35218 1/20 0.58
▸ RIPK1 Q13546 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ HTT P42858 1/20 0.56

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
SCHEMBL27183055 1.00 KMT2A (0.68) KMT2AMEN1PKMNPC1PTPN1
SCHEMBL3753095 0.80 DYRK1A (0.71) KMT2AMEN1PKMNPC1PTPN1
SCHEMBL2116582 0.80 DYRK1A (0.67) KMT2AMEN1PKMNPC1ACP1
SCHEMBL27182954 0.79 KMT2A (0.59) KMT2AMEN1PKMNPC1ACP1
SCHEMBL30873106 0.79 KMT2A (0.59) KMT2AMEN1PKMNPC1ACP1
SCHEMBL27182947 0.79 MEN1 (0.61) KMT2AMEN1PKMNPC1ACP1
SCHEMBL27182594 0.79 NPC1 (0.74) KMT2AMEN1NPC1PTPN1ACP1
SCHEMBL11157181 0.78 DYRK1A (0.64) KMT2AMEN1PKMNPC1ACP1
SCHEMBL29974725 0.78 DYRK1A (0.67) KMT2AMEN1PKMNPC1PTPN1
SCHEMBL28878443 0.78 DYRK1A (0.67) KMT2AMEN1PKMNPC1PTPN1

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
EP-4593631-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME Mars, Incorporated (US) 2025-08-06 — — EP disclosed
WO-2024073025-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2024-04-04 — — WO disclosed
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