SCHEMBL7767703

SCHEMBL7767703

O=C([O-])c1cnc(C(=O)[O-])cn1.[Ca+2]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
SIRT6 Q8N6T7 2/20 0.39
P4HTM Q9NXG6 6/20 0.36
P4HA1 P13674 1/20 0.36
MIF P14174 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HCAR2 Q8TDS4 2/20 0.34
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
MAPK1 P28482 1/20 0.31
CA2 P00918 3/20 0.31
CA1 P00915 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
TSHR P16473 1/20 0.31
MC4R P32245 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL3343148 0.83 SIRT6 (0.33) SIRT6P4HTMP4HA1MIFKDM4E
Potassium Ion SCHEMBL11741297 0.81 POLB (0.47) KDM4EALDH1A1HPGDPOLBKMT2A
Lithium Ion SCHEMBL6078511 0.81 SIRT6 (0.61) SIRT6P4HTMALDH1A1NAPRTCA2
SCHEMBL17820695 0.76 KDM4E (0.33) SIRT6P4HTMKDM4EALDH1A1HCAR2
Pyrazinoic Acid SCHEMBL28360997 0.72 KDM4E (0.61) KDM4EHCAR2NAPRTADORA3TSHR
Pyrazinoic Acid SCHEMBL970038 0.72 KDM4E (0.61) KDM4EHCAR2NAPRTADORA3TSHR
Pyrazinoic Acid SCHEMBL8626539 0.72 KDM4E (0.61) KDM4EHCAR2NAPRTADORA3TSHR
Pyrazinoic Acid SCHEMBL11128823 0.72 KDM4E (0.61) KDM4EHCAR2NAPRTADORA3TSHR
Pyrazinoic Acid SCHEMBL2158528 0.72 KDM4E (0.61) KDM4EHCAR2NAPRTADORA3TSHR
SCHEMBL22346487 0.72 SIRT6 (0.35) SIRT6P4HTMKDM4EMAPK1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624813-B1 Light valve suspensions and films containing UV absorbers and light valves containing the same RESEARCH FRONTIERS INC (US) 2001-07-04 EP disclosed
EP-0669010-B1 LIGHT MODULATING FILM OF IMPROVED CLARITY FOR A LIGHT VALVE RESEARCH FRONTIERS INC (US) 2000-06-21 EP disclosed
EP-0989445-A2 A liquid suspension for a light valve RESEARCH FRONTIERS INCORPORATED (US) 2000-03-29 EP disclosed
US-5467217-A Light valve suspensions and films containing UV absorbers and light valves containing the same RESEARCH FRONTIERS INCORPORATED (US) 1995-11-14 US disclosed
US-5463492-A Light modulating film of improved clarity for a light valve RESEARCH FRONTIERS INCORPORATED (US) 1995-10-31 US disclosed
US-5463491-A Light valve employing a film comprising an encapsulated liquid suspension, and method of making such film RESEARCH FRONTIERS INCORPORATED (US) 1995-10-31 US disclosed
EP-0669010-A4 1995-09-27 EP disclosed
EP-0669010-A1 LIGHT MODULATING FILM OF IMPROVED CLARITY FOR A LIGHT VALVE RESEARCH FRONTIERS INCORPORATED (US) 1995-08-30 EP disclosed
EP-0624813-A1 Light valve suspensions and films containing UV absorbers and light valves containing the same RESEARCH FRONTIERS INCORPORATED (US) 1994-11-17 EP disclosed
WO-1994011772-A1 LIGHT MODULATING FILM OF IMPROVED CLARITY FOR A LIGHT VALVE RESEARCH FRONTIERS INCORPORATED (US) 1994-05-26 WO disclosed