SCHEMBL9683457

SCHEMBL9683457

NCC(=O)c1ccc(-c2ccc(Nc3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
PTPN1 P18031 4/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
HAO1 Q9UJM8 1/20 0.50
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
GAA P10253 3/20 0.49
GSK3B P49841 1/20 0.49
GFER P55789 1/20 0.49
FFAR1 O14842 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
RAB9A P51151 1/20 0.47
HIF1A Q16665 1/20 0.47
CASP3 P42574 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
SCHEMBL8744738 0.85 SMN1; SMN2 (0.64) PTPN1ERCC5FEN1HAO1MAPT
Hydrochloric Acid SCHEMBL1533600 0.83 SMN1; SMN2 (0.62) PTPN1ERCC5FEN1HAO1MAPT
Bromide SCHEMBL1443516 0.83 SMN1; SMN2 (0.62) PTPN1ERCC5FEN1HAO1MAPT
SCHEMBL883159 0.81 SMN1; SMN2 (0.50) PTPN1ERCC5FEN1HAO1MAPT
Hydrochloric Acid SCHEMBL690938 0.79 SMN1; SMN2 (0.48) PTPN1ERCC5FEN1HAO1MAPT
Diphenylamine SCHEMBL4943806 0.77 MAPT (0.57) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL45515 0.77 MAPT (0.64) PTPN1ERCC5FEN1MAPTSMN1; SMN2
SCHEMBL10337516 0.77 MAPT (0.64) PTPN1ERCC5FEN1MAPTSMN1; SMN2
SCHEMBL9660803 0.77 ALDH1A1 (0.67) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL27540427 0.77 MAPT (0.68) MAPK13MAPK12MAPK11MAPK14MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0479578-A1 Color-forming recording material MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-04-08 EP disclosed