SCHEMBL6416078

SCHEMBL6416078

N#Cc1cc(CC(c2cnc[nH]2)N2CCN(c3cc(Cl)ccc3-c3ccccc3OCc3ccccc3)C(=O)C2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.36
FNTB P49356 6/20 0.36
PGGT1B P53609 5/20 0.36
IDO1 P14902 1/20 0.34
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PTGER1 P34995 2/20 0.31

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
SCHEMBL6448742 0.95 FNTA (0.37) FNTAFNTBPGGT1BIDO1LMNA
SCHEMBL6413197 0.88 FPR1 (0.32) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL6469829 0.85 FNTA (0.38) FNTAFNTBPGGT1BPTGDR2
SCHEMBL6416690 0.84 FNTA (0.34) FNTAFNTBPGGT1B
SCHEMBL7165181 0.82 FNTA (0.37) FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL6410657 0.78 FNTA (0.34) FNTAFNTBPGGT1B
SCHEMBL7164678 0.78 FNTA (0.61) FNTAFNTBPGGT1B
SCHEMBL3500420 0.77 FNTA (0.62) FNTAFNTBPGGT1B
SCHEMBL7166236 0.77 FNTA (0.37) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7592960 0.77 FNTA (0.61) FNTAFNTBPGGT1B

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-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed