SCHEMBL8530522

SCHEMBL8530522

NCc1ccc(NC(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.59
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 1/20 0.57
PLAU P00749 2/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
GFER P55789 1/20 0.53
KIF11 P52732 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
KLKB1 P03952 5/20 0.51
PLG P00747 6/20 0.51
PLAT P00750 1/20 0.51
PRSS1 P07477 1/20 0.51
KLK1 P06870 5/20 0.49
KLK6 Q92876 5/20 0.49
TPSAB1 Q15661 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL1837826 0.84 PEPD (0.61) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL12569387 0.83 PEPD (0.55) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL5062623 0.83 PEPD (0.80) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL23713151 0.83 PEPD (0.59) PEPDALDH1A1NPC1PLAUGAA
SCHEMBL111906 0.83 PLG (0.53) PLAUKLKB1PLGPLATPRSS1
Hydrochloric Acid SCHEMBL7444704 0.81 PLG (0.54) PLAUKLKB1PLGPLATPRSS1
SCHEMBL14051538 0.81 ALDH1A1 (0.61) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL1953686 0.81 ALDH1A1 (0.59) PEPDALDH1A1NPC1PLAUGAA
SCHEMBL25230264 0.81 NPC1 (0.61) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL1146000 0.81 SMN1; SMN2 (0.59) ALDH1A1NPC1MAPTMEN1KMT2A

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1192015-C Cell adhesion inhibitors BIOGEN INC (US) 2005-03-09 CN claimed
CN-107266338-B The manufacturing method of isocyanates 旭化成株式会社 2019-10-11 CN disclosed
CN-103450112-B A kind of nitrogenous five member ring heterocyclic compound that N- bridging connects and its preparation and purposes 华东理工大学 2019-09-13 CN disclosed
CN-109803992-A The manufacturing method of isocyanate composition and isocyanate polymer 旭化成株式会社 2019-05-24 CN disclosed
CN-109791361-A Positive lithographic printing plate precursor, method for producing same, and method for producing lithographic printing plate 富士胶片株式会社 2019-05-21 CN disclosed
CN-105026367-B Method for producing isothiocyanate 旭化成株式会社 2019-05-21 CN disclosed
CN-108976155-A The manufacturing method of isothiocyanates 旭化成株式会社 2018-12-11 CN disclosed
CN-106008269-B Polyisocyantates composition and isocyanate polymer composition 旭化成株式会社 2018-10-19 CN disclosed
CN-107963982-A Polyisocyantates composition and isocyanate polymer composition 旭化成株式会社 2018-04-27 CN disclosed
CN-104619682-B Polyisocyanate composition and isocyanate polymer composition 旭化成株式会社 2018-01-19 CN disclosed
CN-1016963-B HERBICIDE COMPOSITION CONTG. BENZENE SULFONAMIDE AS ACTIVE INGREDIENT MITSUBISHI CHEM IND (JP) 1992-06-10 CN disclosed
CN-1059827-A The bicyclic triazoles weed killer herbicide that replaces DU PONT (US) 1992-04-01 CN disclosed
CN-1053788-A Pyridyl oxygen pyrimidine derivatives and preparation method thereof and contain the herbicidal composition of this derivative as active ingredient MITSUI TOATSU CHEMICALS (JP) 1991-08-14 CN disclosed
CN-1050662-A EXPANDIBLE HERBICIDAL AQUEOUS SUSPENSION CONCENTRATE ISHIHARA SANGYO KAISHA (JP) 1991-04-17 CN disclosed
CN-1047277-A 2,3-dihydro-1,3-indene-dione derivative and contain the herbicidal composition of this material as active ingredient MITSUBISHI CHEM IND (JP) 1990-11-28 CN disclosed
CN-1044818-A HERBICIDAL OXABICYCLONONANE ETHERS DU PONT (US) 1990-08-22 CN disclosed
CN-1038746-A Herbicidal combinations and weed control method MITSUI TOATSU CHEMICALS (JP) 1990-01-17 CN disclosed
CN-1038838-A POLYETHER ANTIBIOTIC LILLY CO ELI (US) 1990-01-17 CN disclosed
CN-1036564-A Sulfanilamide (SN) and contain the weedkiller of sulfanilamide (SN) as activeconstituents MITSUBISHI CHEM IND (JP) 1989-10-25 CN disclosed
CN-86108213-A Process for preparing N-benzoyl urea compounds 1987-07-01 CN disclosed