SCHEMBL5050344

SCHEMBL5050344

FC(F)(F)c1ccc(-c2ccc(CBr)cc2)c(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
KIF11 P52732 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
GRM2 Q14416 2/20 0.43
BACE1 P56817 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 1/20 0.41
TACR1 P25103 3/20 0.40
MAOB P27338 1/20 0.40
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5050345 0.85 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30023096 0.85 KIF11 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27781322 0.85 KIF11 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5058197 0.79 KIF11 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1373277 0.77 ALDH1A1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9023806 0.77 ALDH1A1 (0.59) MAOBTRPA1ALDH1A1TSHR
SCHEMBL4971232 0.77 MAOB (0.64) KIF11RXRARXRBRXRGBACE1
SCHEMBL2273601 0.75 MAOB (0.57) KIF11MAOB
SCHEMBL11310344 0.73 KIF11 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27682132 0.73 TACR1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-1157842-B1 INK JET PRINTER HEAD AND PRODUCTION METHOD THEREOF, AND POLYCYCLIC THIOL COMPOUND SEIKO EPSON CORP (JP) 2008-10-08 EP disclosed
US-6629754-B1 Ink jet printer head manufacturing method thereof, and polycyclic thiol compounds SEIKO EPSON CORPORATION (JP) 2003-10-07 US disclosed
EP-1157842-A1 INK JET PRINTER HEAD AND PRODUCTION METHOD THEREOF, AND POLYCYCLIC THIOL COMPOUND SEIKO EPSON CORPORATION (JP) 2001-11-28 EP disclosed