SCHEMBL30873006

SCHEMBL30873006

Cc1ccc([N+](=O)[O-])c(NS(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.53

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 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
KAT2B Q92831 2/20 0.50
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
GRK6 P43250 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL27183310 1.00 TSHR (0.53) TSHRCYP3A4KAT2BMAPTALDH1A1
SCHEMBL26122504 0.83 KAT2B (0.52) TSHRCYP3A4KAT2BMAPTALDH1A1
SCHEMBL29686830 0.83 KAT2B (0.52) TSHRCYP3A4KAT2BMAPTALDH1A1
SCHEMBL978709 0.81 TSHR (0.62) TSHRCYP3A4KAT2BMAPTALDH1A1
SCHEMBL27183266 0.81 MAPT (0.55) TSHRMAPTPOLBPKM
SCHEMBL26118836 0.79 TSHR (0.47) TSHRCYP3A4KAT2BMAPTALDH1A1
SCHEMBL29686668 0.79 TSHR (0.47) TSHRCYP3A4KAT2BMAPTALDH1A1
SCHEMBL27183030 0.78 KMT2A (0.53) TSHRMAPTALDH1A1POLB
SCHEMBL28837008 0.76 TSHR (0.60) TSHRCYP3A4KAT2BMAPTALDH1A1
SCHEMBL1812600 0.76 TSHR (0.60) TSHRCYP3A4KAT2BMAPTALDH1A1

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