SCHEMBL5083211

SCHEMBL5083211

Fc1ccc(NCc2ccccc2Cl)c(F)c1[Ti](C1=CC=CC1)(C1=CC=CC1)c1c(F)ccc(NCc2ccccc2Cl)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 8/20 0.35
MAPK1 P28482 1/20 0.35
PLA2G1B P04054 2/20 0.34
ATG4B Q9Y4P1 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HDAC8 Q9BY41 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL23854493 0.82 MAPT (0.32) MAPTHTTSMN1; SMN2LMNA
SCHEMBL4600373 0.79
SCHEMBL6662490 0.76 IDO1 (0.31)
SCHEMBL268803 0.76 HPGD (0.44) ALDH1A1CYP1A2CYP2C19HPGDMAPT
SCHEMBL6663241 0.75 EPHX2 (0.32) SMN1; SMN2
SCHEMBL28596646 0.75
SCHEMBL17237546 0.73
SCHEMBL5915980 0.72
SCHEMBL7763186 0.72 MEN1 (0.32) MEN1KMT2A
SCHEMBL482859 0.71 PSIP1 (0.41) CYP2C9CYP2C19HPGDCYP3A4LMNA

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
EP-1894957-B1 Flexographic printing plate precursor of laser engraving type FUJIFILM CORP (JP) 2012-10-17 EP disclosed
EP-1894957-A1 Laser-decomposable resin composition and laser-decomposable pattern-forming material and flexographic printing plate precursor of laser engraving type using the same FUJIFILM Corporation (JP) 2008-03-05 EP disclosed