SCHEMBL17435316

SCHEMBL17435316

O=S(=O)([O-])c1nc2c(-c3ccccc3)cccc2[nH]1.O=S(=O)([O-])c1nc2c(-c3ccccc3)cccc2[nH]1.[Na+].[Na+]

nearest known ligand 0.45

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 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 12/20 0.45
▸ CNR1 P21554 1/20 0.41
▸ NPY5R Q15761 1/20 0.40
▸ DHODH Q02127 3/20 0.40
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ PLK4 O00444 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ AKT3 Q9Y243 1/20 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
SCHEMBL15447 1.00 CNR2 (0.45) CNR2CNR1NPY5RDHODHPIK3CD
Potassium Ion SCHEMBL15525 0.97 CNR2 (0.45) CNR2CNR1NPY5RDHODHPIK3CD
SCHEMBL6675098 0.84 L3MBTL1 (0.55) CNR2CNR1NPY5RDHODHPIK3CD
SCHEMBL1580272 0.84 CNR2 (0.46) CNR2CNR1NPY5RDHODHPIK3CD
SCHEMBL16278 0.84 L3MBTL1 (0.55) CNR2CNR1NPY5RDHODHPIK3CD
Potassium Ion SCHEMBL5188114 0.79 CNR2 (0.41) CNR2CNR1DHODHPARP1
SCHEMBL14740152 0.77 L3MBTL1 (0.36) DHODHPARP1
SCHEMBL7056322 0.77 L3MBTL1 (0.54) CNR2CNR1DHODHPARP1
SCHEMBL15448 0.77 CYP3A4 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19PARP1
Trolamine SCHEMBL8056127 0.75 L3MBTL1 (0.46) CNR2CNR1NPY5RDHODHPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838061-B1 COSMETIC CONTAINER LG HOUSEHOLD & HEALTH CARE LTD (KR) 2023-09-06 — — EP disclosed
EP-3838061-A2 COSMETIC CONTAINER LG Household & Health Care Ltd. (KR) 2021-06-23 — — EP disclosed
EP-3106060-B1 COSMETIC CONTAINER LG HOUSEHOLD & HEALTH CARE LTD (KR) 2021-01-27 — — EP disclosed
EP-3106059-B1 COSMETIC CONTAINER LG HOUSEHOLD & HEALTH CARE LTD (KR) 2021-01-20 — — EP disclosed
US-10874191-B2 Cosmetic container LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2020-12-29 — — US disclosed
US-10869534-B2 Cosmetic container LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2020-12-22 — — US disclosed
US-10426246-B2 Cosmetic container LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2019-10-01 — — US disclosed
US-20180279741-A1 COSMETIC CONTAINER LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2018-10-04 — — US disclosed
US-10010153-B2 Cosmetic container LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2018-07-03 — — US disclosed
US-20180116371-A1 Cosmetic Container LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2018-05-03 — — US disclosed
EP-3106059-A1 COSMETIC CONTAINER LG Household & Health Care Ltd. (KR) 2016-12-21 — — EP disclosed
EP-3106060-A1 COSMETIC CONTAINER LG Household & Health Care Ltd. (KR) 2016-12-21 — — EP disclosed
US-20160242529-A1 COSMETIC CONTAINER LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2016-08-25 — — US disclosed
US-20160015149-A1 COSMETIC CONTAINER LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2016-01-21 — — US disclosed
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