SCHEMBL17255097

SCHEMBL17255097

O=C(Nc1ccccc1)Nc1ccc(C=Cc2ccc(NC(=O)Nc3ccccc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.61

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
▸ CA12 known ✓ O43570 2/20 0.50
▸ CA1 known ✓ P00915 2/20 0.50
▸ CA2 known ✓ P00918 2/20 0.50
▸ RAD51 Q06609 6/20 0.61
▸ ENPP2 Q13822 1/20 0.56
▸ CA9 Q16790 2/20 0.50
▸ KCNJ6 P48051 1/20 0.50
▸ KCNJ5 P48544 1/20 0.50
▸ KCNJ3 P48549 1/20 0.50
▸ APEX1 P27695 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL29455562 1.00 RAD51 (0.61) RAD51ENPP2CA12CA1CA2
SCHEMBL4057351 1.00 RAD51 (0.61) RAD51ENPP2CA12CA1CA2
SCHEMBL9321648 0.86 ENPP2 (0.74) ENPP2CA12CA1CA2CA9
SCHEMBL14437899 0.86 ENPP2 (0.74) ENPP2CA12CA1CA2CA9
SCHEMBL31389389 0.85 RAD51 (0.72) RAD51CA12CA1CA2CA9
SCHEMBL15282738 0.84 ENPP2 (0.72) ENPP2CA12CA1CA2CA9
SCHEMBL17255098 0.84 ENPP2 (0.72) ENPP2CA12CA1CA2CA9
SCHEMBL26977995 0.84 ENPP2 (0.72) ENPP2CA12CA1CA2CA9
SCHEMBL15210455 0.83 MAPT (0.54) RAD51CA12CA1CA2CA9
SCHEMBL31389377 0.82 RAD51 (0.70) RAD51APEX1MAPTTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002603-A1 ACTIVE ENERGY RAY-CURABLE COMPOSITION WITH DARK PART CURABILITY TOAGOSEI CO., LTD. (JP) 2024-01-04 — — US disclosed
EP-2944477-B1 MULTICOLOR THERMAL RECORDING MATERIAL, AND METHOD FOR COLOR FORMATION OF SAID MULTICOLOR THERMAL RECORDING MATERIAL OJI HOLDINGS CORP (JP) 2019-04-10 — — EP disclosed
US-9387714-B2 Multicolor thermal recording material, and method for color formation of said multicolor thermal recording material Oji Holdings Corporation (JP) 2016-07-12 — — US disclosed
US-20150343825-A1 MULTICOLOR THERMAL RECORDING MATERIAL, AND METHOD FOR COLOR FORMATION OF SAID MULTICOLOR THERMAL RECORDING MATERIAL Oji Holdings Corporation (JP) 2015-12-03 — — US disclosed
EP-2944477-A1 MULTICOLOR THERMAL RECORDING MATERIAL, AND METHOD FOR COLOR FORMATION OF SAID MULTICOLOR THERMAL RECORDING MATERIAL Oji Holdings Corporation (JP) 2015-11-18 — — EP disclosed
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