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SCHEMBL8937094

SCHEMBL8937094

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

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 18/20 0.68
▸ FNTB P49356 18/20 0.68
▸ PGGT1B P53609 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8547753 1.00 FNTA (0.68) FNTAFNTBPGGT1BL3MBTL1
Trifluoroacetic Acid SCHEMBL8590032 0.95 FNTA (0.64) FNTAFNTBPGGT1B
SCHEMBL8536995 0.93 FNTA (0.80) FNTAFNTBPGGT1B
SCHEMBL8937043 0.92 FNTA (0.62) FNTAFNTBPGGT1BL3MBTL1
Hydrochloric Acid SCHEMBL8936953 0.91 FNTA (0.61) FNTAFNTBPGGT1BL3MBTL1
Hydrochloric Acid SCHEMBL8936951 0.91 FNTA (0.61) FNTAFNTBPGGT1BL3MBTL1
SCHEMBL8936964 0.90 FNTA (0.83) FNTAFNTBPGGT1BL3MBTL1
SCHEMBL8936962 0.90 FNTA (0.83) FNTAFNTBPGGT1BL3MBTL1
Trifluoroacetic Acid SCHEMBL8937045 0.89 FNTA (0.74) FNTAFNTBPGGT1B
SCHEMBL8936970 0.87 FNTA (0.90) FNTAFNTBPGGT1BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996030015-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 — — WO claimed