SCHEMBL8214271

SCHEMBL8214271

CS(=O)(=O)CCC(NC(=O)c1ccc(C=C(Cc2ncc[nH]2)c2ccc(F)cc2)cc1-c1ccc(F)cc1)C(=O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.36
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34
PGGT1B P53609 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
BACE1 P56817 1/20 0.32

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
SCHEMBL8199296 0.92 NAMPT (0.38) NAMPTFNTAFNTBPGGT1B
SCHEMBL8209424 0.90 FNTA (0.43) FNTAFNTB
SCHEMBL8233409 0.84 CYP51A1 (0.41) FNTAFNTBPGGT1B
SCHEMBL8198171 0.83 FNTA (0.34) NAMPTFNTAFNTBPGGT1BALDH1A1
SCHEMBL8209899 0.83 FNTA (0.40) FNTAFNTB
SCHEMBL8199776 0.83 FNTA (0.49) FNTAFNTB
SCHEMBL8206519 0.82 NAMPT (0.38) NAMPTFNTAFNTBPGGT1B
SCHEMBL8199442 0.82 FNTA (0.39) NAMPTFNTAFNTBPGGT1B
SCHEMBL8207254 0.82 FNTA (0.47) FNTAFNTB
SCHEMBL8207389 0.80 FNTA (0.40) NAMPTFNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 EP claimed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO claimed