SCHEMBL8536995

SCHEMBL8536995

CSCC[C@H](NC(=O)c1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)Cc2c[nH]cn2)c1)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.80
FNTB P49356 18/20 0.80
PGGT1B P53609 4/20 0.60

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
Trifluoroacetic Acid SCHEMBL8937045 0.96 FNTA (0.74) FNTAFNTBPGGT1B
SCHEMBL8547753 0.93 FNTA (0.68) FNTAFNTBPGGT1B
SCHEMBL8937094 0.93 FNTA (0.68) FNTAFNTBPGGT1B
SCHEMBL8936958 0.91 FNTA (0.70) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8936978 0.91 FNTA (0.69) FNTAFNTBPGGT1B
SCHEMBL8937074 0.90 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL8937055 0.90 FNTA (1.00) FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL8590032 0.90 FNTA (0.64) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8937034 0.89 FNTA (0.98) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8937046 0.89 FNTA (0.98) 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 8 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 claimed
EP-0817630-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP claimed
WO-1996030015-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO claimed
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