SCHEMBL9577791

SCHEMBL9577791

O=S(=O)([O-])c1ccc(N=Nc2c(O)ccc3ccccc23)c2ccccc12.[Na+]

nearest known ligand 0.60

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 5/20 0.60
▸ MPL P40238 4/20 0.59
▸ CTRC Q99895 2/20 0.59
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ PTPRA P18433 1/20 0.58
▸ PTPRB P23467 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ RAPGEF4 Q8WZA2 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ CTRB1 P17538 1/20 0.56
▸ MAPT P10636 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ MAPK1 P28482 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ NPC1 O15118 1/20 0.53

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
SCHEMBL29357249 1.00 THRB (0.60) THRBMPLCTRCCYP1A2CYP2C9
SCHEMBL9577785 1.00 THRB (0.60) THRBMPLCTRCCYP1A2CYP2C9
SCHEMBL29716528 0.95 CYP1A2 (0.62) THRBMPLCTRCCYP1A2CYP2C9
SCHEMBL10621003 0.95 CYP1A2 (0.62) THRBMPLCTRCCYP1A2CYP2C9
SCHEMBL29366329 0.89 THRB (0.65) THRBMPLCTRCCYP1A2CYP2C9
SCHEMBL31511329 0.89 THRB (0.56) THRBMPLCTRCCYP1A2CYP2C9
SCHEMBL6763835 0.88 CTRB1 (0.73) THRBMPLCTRCCYP1A2CYP2C9
SCHEMBL30049470 0.88 CTRB1 (0.73) THRBMPLCTRCCYP1A2CYP2C9
SCHEMBL5701120 0.88 CTRB1 (0.73) THRBMPLCTRCCYP1A2CYP2C9
SCHEMBL9577795 0.87 CTRB1 (0.71) THRBMPLCTRCCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11998302-B2 Thermographic device for measurement of differential temperatures in tissue WELWAZE MEDICAL INC. (US) 2024-06-04 — — US disclosed
US-20230200662-A1 THERMOGRAPHIC DEVICE FOR MEASUREMENT OF DIFFERENTIAL TEMPERATURES IN TISSUE WELWAZE MEDICAL INC. (US) 2023-06-29 — — US disclosed
US-11445917-B2 Thermographic device for measurement of differential temperatures in tissue WELWAZE MEDICAL INC. (US) 2022-09-20 — — US disclosed
EP-3758592-A2 THERMOGRAPHIC DEVICE FOR MEASUREMENT OF DIFFERENTIAL TEMPERATURES IN TISSUE Welwaze Medical Inc. (US) 2021-01-06 — — EP disclosed
US-20190209019-A1 THERMOGRAPHIC DEVICE FOR MEASUREMENT OF DIFFERENTIAL TEMPERATURES IN TISSUE ZICHY, MARLENE (AR) 2019-07-11 — — US disclosed
WO-2019113460-A2 THERMOGRAPHIC DEVICE FOR MEASUREMENT OF DIFFERENTIAL TEMPERATURES IN TISSUE WELWAZE MEDICAL INC. (US) 2019-06-13 — — WO disclosed
WO-2018053108-A1 MICROPLATES AND OPEN-CHANNEL MICROFLUIDICS DEVICES INCLUDING COATED AND UNCOATED CELLOPHANE UENAL BARIS (US) 2018-03-22 — — WO disclosed
EP-0229191-B1 FLY-ATTRACTIVE COMPOSITION EARTH CHEMICAL CO., LTD. (JP) 1993-06-02 — — EP disclosed
US-4855133-A Composition for attracting flies EARTH CHEMICAL COMPANY, LIMITED (JP) 1989-08-08 — — US disclosed
US-4756854-A Method and apparatus for detecting hydrocarbon fuel leaks LOCKHEED CORPORATION (US) 1988-07-12 — — US disclosed
EP-0229191-A1 FLY-ATTRACTIVE COMPOSITION EARTH CHEMICAL CO., LTD. (JP) 1987-07-22 — — EP disclosed
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