SCHEMBL7630076

SCHEMBL7630076

CS(=O)(=O)CC[C@H]1CN(c2cc(Br)cc(OCCF)c2)C(=O)CN1CC(=O)c1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 17/20 0.49
FNTB P49356 16/20 0.49
PGGT1B P53609 5/20 0.41
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
NRAS P01111 1/20 0.34
HRAS P01112 1/20 0.34

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
SCHEMBL8147166 0.84 FNTA (0.50) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7630069 0.77 FNTA (0.37) FNTAFNTB
Hydrochloric Acid SCHEMBL8141554 0.73 FNTA (0.59) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL8155158 0.72 FNTA (0.59) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL8155160 0.72 FNTA (0.59) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL8447666 0.72 FNTA (0.81) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3501295 0.71 FNTA (0.82) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3684991 0.71 FNTA (0.82) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL8147140 0.70 FNTA (0.69) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL8154508 0.70 FNTA (0.70) FNTAFNTBPGGT1BNRASHRAS

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
US-6458935-B1 LABEL FPTASE IN ASSAYS, WHETHER CELL-BASED, TISSUE-BASED OR IN WHOLE ANIMAL. THE TRACERS CAN ALSO BE USED IN COMPETITIVE BINDING ASSAYS TO OBTAIN INFORMATION ON THE INTERACTION OF UNLABELED FTIS WITH FPTASE. MERCK & CO., INC. 2002-10-01 US disclosed