SCHEMBL8369448

SCHEMBL8369448

COC(=O)C(CCSC)NC(=O)c1cccc(CN)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.68
FNTB P49356 12/20 0.68
L3MBTL1 Q9Y468 1/20 0.62
TAS1R3 Q7RTX0 2/20 0.60
TAS1R1 Q7RTX1 2/20 0.60
PGGT1B P53609 2/20 0.54
LOXL2 Q9Y4K0 1/20 0.51
KMT2A Q03164 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL8369449 1.00 FNTA (0.68) FNTAFNTBL3MBTL1TAS1R3TAS1R1
SCHEMBL8517000 0.88 FNTA (0.66) FNTAFNTBL3MBTL1TAS1R3TAS1R1
SCHEMBL8517002 0.88 FNTA (0.66) FNTAFNTBL3MBTL1TAS1R3TAS1R1
SCHEMBL9064439 0.88 FNTA (0.67) FNTAFNTBPGGT1BCA1CA2
SCHEMBL7232898 0.86 TAS1R3 (0.63) FNTAFNTBL3MBTL1TAS1R3TAS1R1
SCHEMBL8896137 0.86 TAS1R3 (0.63) FNTAFNTBL3MBTL1TAS1R3TAS1R1
SCHEMBL18095164 0.82 L3MBTL1 (0.74) FNTAFNTBL3MBTL1TAS1R3TAS1R1
SCHEMBL2323686 0.82 L3MBTL1 (0.74) FNTAFNTBL3MBTL1TAS1R3TAS1R1
Trifluoroacetic Acid SCHEMBL8364428 0.81 FNTA (0.62) FNTAFNTBL3MBTL1TAS1R3TAS1R1
Trifluoroacetic Acid SCHEMBL8364426 0.81 FNTA (0.62) FNTAFNTBL3MBTL1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817630-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-01-27 EP disclosed
EP-0817630-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP disclosed
US-5578629-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-11-26 US disclosed
WO-1996030015-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed
US-5534537-A Prodrugs of inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1996-07-09 US disclosed