SCHEMBL5050345

SCHEMBL5050345

FC(F)(F)c1cccc(-c2cc(CBr)ccc2-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 1/20 0.44
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
S1PR5 Q9H228 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
TACR1 P25103 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
S1PR1 P21453 1/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL5050344 0.85 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1373277 0.82 ALDH1A1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28667956 0.81 ADORA2A (0.54) MAOBADORA2AADORA1AKR1C3AKR1C2
SCHEMBL10269861 0.79 MAOB (0.53) MEN1KMT2AMAOBKDM4EACP3
SCHEMBL3798654 0.79 PTPN5 (0.49) MAOBAKR1C3AKR1C2RORCRORB
SCHEMBL4971232 0.78 MAOB (0.64) MAOBS1PR5ACP3SLC13A5
SCHEMBL5058200 0.77 AKR1C3 (0.46) ADORA2AADORA1AKR1C3AKR1C2RORC
SCHEMBL17840165 0.77 RORC (0.57) MAOBADORA2AADORA1RORCRORB
SCHEMBL23148953 0.76 CNR2 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29616448 0.76 CNR2 (0.40) 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