SCHEMBL10348641

SCHEMBL10348641

NCCCNC(=O)c1cc2ccccc2cc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.70
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 1/20 0.70
CASP1 P29466 1/20 0.70
CASP7 P55210 1/20 0.70
GAA P10253 2/20 0.64
MEN1 O00255 1/20 0.64
MITF O75030 1/20 0.64
KMT2A Q03164 1/20 0.64
NCOA1 Q15788 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
NCOA3 Q9Y6Q9 1/20 0.64
PLG P00747 2/20 0.55
KLK1 P06870 2/20 0.55
KLK6 Q92876 2/20 0.55
HSD17B10 Q99714 1/20 0.55
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
NPC1 O15118 3/20 0.53

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
Bromide SCHEMBL10349263 0.98 MAPT (0.68) MAPTKDM4EALDH1A1CASP1CASP7
Hydrochloric Acid SCHEMBL10348724 0.98 MAPT (0.68) MAPTKDM4EALDH1A1CASP1CASP7
Hydrochloric Acid SCHEMBL10349260 0.94 KDM4E (0.67) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL11568743 0.91 MAPT (0.74) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL10819824 0.90 KDM4E (0.62) MAPTKDM4EALDH1A1CASP1CASP7
Hydrochloric Acid SCHEMBL10348698 0.89 MAPT (0.72) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL11439147 0.87 MAPT (0.84) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL11333817 0.86 MAPT (0.82) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL10819816 0.86 KDM4E (0.56) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL10423855 0.84 MAPT (0.68) MAPTKDM4EALDH1A1CASP1CASP7

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-0141377-B1 METAL COMPLEXES HODOGAYA CHEMICAL CO., LTD. (JP) 1990-05-02 EP disclosed