SCHEMBL9639719

SCHEMBL9639719

N#CC1=C(C#N)C(=O)C(Cl)=C(Cl)C1=O.O=C1C=CC(=O)C(Cl)=C1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
ALOX12 P18054 3/20 0.35
KMT2A Q03164 3/20 0.35
CES2 O00748 2/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
CES1 P23141 2/20 0.35
RECQL P46063 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL2952 0.85 MEN1 (0.47) MEN1ALDH1A1MAPTHPGDALOX12
SCHEMBL375015 0.85 MEN1 (0.47) MEN1ALDH1A1MAPTHPGDALOX12
Water SCHEMBL28189365 0.85 MEN1 (0.47) MEN1ALDH1A1MAPTHPGDALOX12
Benzoquinone SCHEMBL5262501 0.84 BCHE (0.38) MEN1ALDH1A1MAPTHPGDALOX12
Hydrochloric Acid SCHEMBL8130707 0.83 CES2 (0.44) MEN1ALDH1A1MAPTHPGDALOX12
SCHEMBL28071586 0.83 CES2 (0.44) MEN1ALDH1A1MAPTHPGDALOX12
SCHEMBL9196667 0.80 CES2 (0.42) MEN1ALDH1A1MAPTHPGDALOX12
Acetonitrile SCHEMBL29137992 0.78 CES2 (0.40) MEN1ALDH1A1MAPTHPGDALOX12
Methylene Chloride SCHEMBL28153470 0.78 CES2 (0.40) MEN1ALDH1A1MAPTHPGDALOX12
SCHEMBL4534195 0.74 CES2 (0.36) MEN1ALDH1A1MAPTHPGDALOX12

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
US-5151528-A Electrophotography FUJI XEROX CO., LTD. (JP) 1992-09-29 US disclosed