SCHEMBL20288288

SCHEMBL20288288

CC(C)COCCN1C(=O)C2=C(c3cccs3)N(CCOCC(C)C)C(=O)C2=C1c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.34
MAPT P10636 5/20 0.34
GLA P06280 4/20 0.34
GAA P10253 3/20 0.34
BRCA1 P38398 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
KDM4E B2RXH2 5/20 0.32
CASP1 P29466 4/20 0.32
CASP7 P55210 4/20 0.32
HSD17B10 Q99714 4/20 0.32
HPGD P15428 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP1A2 P05177 2/20 0.31

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
SCHEMBL19721663 0.82 ALDH1A1 (0.34) ALDH1A1GLAGAABRCA1KDM4E
SCHEMBL23954170 0.79 ALDH1A1 (0.48) ALDH1A1MAPTGLAGAAKDM4E
SCHEMBL20175354 0.76 PSMB5 (0.37) MAPTTDP1LMNAL3MBTL1KCNH2
SCHEMBL15158963 0.76 ALDH1A1 (0.34) ALDH1A1MAPTGAAKDM4ECASP1
SCHEMBL15509553 0.75 ALDH1A1 (0.42) ALDH1A1MAPTGAAKDM4ECASP1
SCHEMBL15969661 0.74 ALDH1A1 (0.43) ALDH1A1GAAKDM4ECASP1CASP7
SCHEMBL20774909 0.73 ALDH1A1 (0.45) ALDH1A1GAAKDM4ECASP1CASP7
SCHEMBL14723025 0.73 ALDH1A1 (0.45) ALDH1A1GAAKDM4ECASP1CASP7
SCHEMBL14897890 0.73 ALDH1A1 (0.45) ALDH1A1GAAKDM4ECASP1CASP7
SCHEMBL14816400 0.73 ALDH1A1 (0.45) ALDH1A1GAAKDM4ECASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10312447-B2 Organic semiconductor element, manufacturing method thereof, compound, organic semiconductor composition, organic semiconductor film, and manufacturing method thereof FUJIFILM CORPORATION (JP) 2019-06-04 US disclosed
US-20180175299-A1 ORGANIC THIN FILM TRANSISTOR, METHOD OF MANUFACTURING ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC SEMICONDUCTOR FILM, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-06-21 US disclosed