SCHEMBL7996915

SCHEMBL7996915

Cc1cccc(/C=C/c2cccc(NC[C@@H](N)CS)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.60
FNTB P49356 7/20 0.60
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
PGGT1B P53609 5/20 0.41
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
RELA Q04206 1/20 0.39

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
SCHEMBL7996917 1.00 FNTA (0.60) FNTAFNTBCYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL8869811 0.89 FNTA (0.49) FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL8869802 0.89 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL7994646 0.78 FNTA (0.60) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7998320 0.77 FNTA (0.59) FNTAFNTBPGGT1B
SCHEMBL8934697 0.75 FNTA (0.56) FNTAFNTBMAPTPGGT1B
SCHEMBL8107197 0.75 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL7996775 0.72 FNTA (0.66) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8869016 0.71 FNTA (0.64) FNTAFNTBPGGT1B
SCHEMBL21847980 0.70 PTGS1 (0.69) CYP1A2MAPTALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817629-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-03-08 EP disclosed
EP-0817629-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP disclosed
US-5631280-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1997-05-20 US disclosed