SCHEMBL6448742

SCHEMBL6448742

N#Cc1ccc(CC(c2cnc[nH]2)N2CCN(c3cc(Cl)ccc3-c3ccccc3OCc3ccccc3)C(=O)C2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.37
FNTB P49356 10/20 0.37
PGGT1B P53609 8/20 0.37
IDO1 P14902 1/20 0.34
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
XDH P47989 1/20 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
SCHEMBL6416078 0.95 FNTA (0.36) FNTAFNTBPGGT1BIDO1LMNA
Hydrochloric Acid SCHEMBL6469829 0.90 FNTA (0.38) FNTAFNTBPGGT1BPTGDR2
SCHEMBL6416690 0.89 FNTA (0.34) FNTAFNTBPGGT1B
SCHEMBL6413197 0.83 FPR1 (0.32) FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL6410657 0.82 FNTA (0.34) FNTAFNTBPGGT1B
SCHEMBL7166236 0.82 FNTA (0.37) FNTAFNTBPGGT1B
SCHEMBL7532834 0.81 FNTA (0.43) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7653568 0.81 FNTA (0.42) FNTAFNTBPGGT1B
SCHEMBL6410659 0.80 FNTA (0.33) FNTAFNTBPGGT1B
SCHEMBL7164670 0.78 FNTA (0.62) 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