SCHEMBL6552229

SCHEMBL6552229

O=C([O-])C#Cc1ccc(Cl)cc1Cl.O=C([O-])C#Cc1ccc(Cl)cc1Cl.[Ca+2]

nearest known ligand 0.41

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
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 1/20 0.41
TSHR P16473 3/20 0.40
ERCC5 P28715 2/20 0.40
FEN1 P39748 2/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
FSCN1 Q16658 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
VCAM1 P19320 1/20 0.34
FLT1 P17948 1/20 0.34

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
Potassium Ion SCHEMBL10802180 0.96 ALDH1A1 (0.41) ALDH1A1MAPK1HIF1ATSHRERCC5
SCHEMBL6554182 0.96 ALDH1A1 (0.41) ALDH1A1MAPK1HIF1ATSHRERCC5
SCHEMBL3869293 0.81 ALDH1A1 (0.43) ALDH1A1MAPK1HIF1ATSHRERCC5
SCHEMBL3859297 0.81 TSHR (0.47) ALDH1A1MAPK1HIF1ATSHRERCC5
SCHEMBL6552230 0.80 TSHR (0.46) ALDH1A1MAPK1HIF1ATSHRERCC5
SCHEMBL6554187 0.80 TSHR (0.46) ALDH1A1MAPK1HIF1ATSHRERCC5
SCHEMBL10802186 0.80 TSHR (0.46) ALDH1A1MAPK1HIF1ATSHRERCC5
Hydrochloric Acid SCHEMBL3869297 0.80 TSHR (0.46) ALDH1A1MAPK1HIF1ATSHRERCC5
Guanidine SCHEMBL9629187 0.75 SMN1; SMN2 (0.41) ALDH1A1MAPK1HIF1ATSHRERCC5
Guanidine SCHEMBL10792358 0.70 FFAR1 (0.38) ALDH1A1MAPK1HIF1ATSHRERCC5

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-6420083-B1 EXCELLENT SENSITIVITY; DOES NOT REQUIRE WET DEVELOPMENT; HYDROPHILIC GROUPS IN POLYMER COORDINATE WITH THE POLYVALENT METAL CATION RELEASED BY HEAT AND FORM A HYDROPHOBIC POLYMER FUJI PHOTO FILM CO., LTD. (JP) 2002-07-16 US claimed
EP-1046496-A1 Planographic printing plate precursor containing metal compounds, and process for producing planographic printing plates FUJI PHOTO FILM CO., LTD. (JP) 2000-10-25 EP claimed
EP-1046496-B1 Planographic printing plate precursor containing metal compounds, and process for producing planographic printing plates FUJI PHOTO FILM CO LTD (JP) 2004-02-18 EP disclosed
US-6420083-B1 EXCELLENT SENSITIVITY; DOES NOT REQUIRE WET DEVELOPMENT; HYDROPHILIC GROUPS IN POLYMER COORDINATE WITH THE POLYVALENT METAL CATION RELEASED BY HEAT AND FORM A HYDROPHOBIC POLYMER FUJI PHOTO FILM CO., LTD. (JP) 2002-07-16 US disclosed
EP-1046496-A1 Planographic printing plate precursor containing metal compounds, and process for producing planographic printing plates FUJI PHOTO FILM CO., LTD. (JP) 2000-10-25 EP disclosed