SCHEMBL8106541

SCHEMBL8106541

N#Cc1ccc(Cc2cnc(Cc3ccc(-c4cccc(OC(F)(F)F)c4)cc3)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.46
PGGT1B P53609 5/20 0.43
FNTA P49354 4/20 0.43
FNTB P49356 4/20 0.43
TRPA1 O75762 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SLC13A5 Q86YT5 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
KDM5A P29375 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
NPY5R Q15761 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
Bromide SCHEMBL8309405 0.99 BRS3 (0.45) BRS3PGGT1BFNTAFNTBTRPA1
SCHEMBL7453578 0.91 BRS3 (0.43) BRS3PGGT1BFNTAFNTBCTSS
SCHEMBL8097324 0.85 BRS3 (0.48) BRS3CTSSGRIN1GRIN2BKCNH2
Hydrochloric Acid SCHEMBL8306295 0.84 BRS3 (0.47) BRS3CTSSGRIN1GRIN2BKCNH2
SCHEMBL8107069 0.82 BRS3 (0.51) BRS3GRIN1GRIN2BKDM1A
SCHEMBL7919393 0.81 BRS3 (0.62) BRS3GRIN1GRIN2B
SCHEMBL8097365 0.81 BRS3 (0.50) BRS3PGGT1BFNTAFNTBMAOB
SCHEMBL7921269 0.81 BRS3 (0.56) BRS3TRPA1PDE4BGRIN1GRIN2B
Hydrochloric Acid SCHEMBL8521500 0.80 BRS3 (0.61) BRS3GRIN1GRIN2B
Hydrochloric Acid SCHEMBL8305721 0.80 BRS3 (0.49) BRS3PGGT1BFNTAFNTBMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986302-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-03-22 EP claimed
WO-1998054966-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-12-10 WO claimed
EP-0891333-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036875-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed