SCHEMBL9740927

SCHEMBL9740927

CCCCCCCc1ccc(-c2cnc(-c3ccc(OCCCCCC)c(F)c3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RARB P10826 9/20 0.48
RARA P10276 2/20 0.48
RARG P13631 1/20 0.48
S1PR1 P21453 3/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL9398623 0.96 RAB9A (0.50) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL9399140 0.92 RAB9A (0.53) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL10560165 0.91 RARB (0.52) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL10554428 0.91 RARB (0.52) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL9399114 0.91 RARB (0.52) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL10555705 0.91 RARB (0.52) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL10558236 0.91 RARB (0.52) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL10558978 0.91 RARB (0.52) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL10555207 0.91 RARB (0.52) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL10560121 0.91 RARB (0.52) MEN1ALDH1A1MAPTKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128472-A Electrooptical display materials, ferroelectric display DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-07-07 US disclosed
US-4997942-A 2,4-disubstituted pyrazine derivatives, pyrimidine derivatives, and liquid crystal containing the same DAINIPPON INK AND CHEMICAL, INC. (JP) 1991-03-05 US disclosed
EP-0339252-A2 2,5-disubstituted pyrazine derivatives, pyrimidine derivatives, and liquid crystal containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-11-02 EP disclosed