SCHEMBL6554187

SCHEMBL6554187

O=C(O)C#Cc1ccc(Cl)cc1Cl.[AlH3]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
TP53 P04637 2/20 0.41
ERCC5 P28715 2/20 0.41
FEN1 P39748 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SRD5A2 P31213 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NOTUM Q6P988 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
FSCN1 Q16658 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
SCHEMBL3859297 0.98 TSHR (0.47) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL6552230 0.96 TSHR (0.46) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL10802186 0.96 TSHR (0.46) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL3869297 0.96 TSHR (0.46) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
Guanidine SCHEMBL9629187 0.90 SMN1; SMN2 (0.41) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
Guanidine SCHEMBL10792358 0.85 FFAR1 (0.38) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
Guanidine SCHEMBL10630419 0.83 PTGDR2 (0.39) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL3869293 0.83 ALDH1A1 (0.43) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL25231106 0.80 PTGDR2 (0.46) ALDH1A1MAPK1PTGDR2KDM4EMAPT
SCHEMBL3857986 0.80 MAPK1 (0.40) TSHRSMN1; SMN2ALDH1A1MAPK1TDP1

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