SCHEMBL8936962

SCHEMBL8936962

COC(=O)C(CCSC)NC(=O)c1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)Cc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.83
FNTB P49356 16/20 0.83
PGGT1B P53609 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL8936964 1.00 FNTA (0.83) FNTAFNTBPGGT1BL3MBTL1TAS1R3
SCHEMBL8936970 0.97 FNTA (0.90) FNTAFNTBPGGT1BL3MBTL1
SCHEMBL8937055 0.91 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL8937074 0.91 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL8547753 0.90 FNTA (0.68) FNTAFNTBPGGT1BL3MBTL1
SCHEMBL8937094 0.90 FNTA (0.68) FNTAFNTBPGGT1BL3MBTL1
Hydrochloric Acid SCHEMBL8937046 0.90 FNTA (0.98) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8937034 0.90 FNTA (0.98) FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL8936971 0.86 FNTA (0.90) FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL8590032 0.86 FNTA (0.64) 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
US-5534537-A Prodrugs of inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1996-07-09 US claimed
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