SCHEMBL8250464

SCHEMBL8250464

CSCC[C@H](Nc1cccc(C=C(Cc2ncc[nH]2)c2ccc(F)cc2)c1)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FNTA P49354 4/20 0.32
FNTB P49356 4/20 0.32
GAA P10253 2/20 0.32
PGGT1B P53609 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 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
SCHEMBL8209147 0.88 FNTA (0.40) NAMPTKMT2AFNTAFNTBPGGT1B
SCHEMBL8198280 0.83 FNTA (0.46) FNTAFNTBPGGT1BALDH1A1
SCHEMBL8206389 0.83 FNTA (0.46) FNTAFNTBPGGT1BALDH1A1
SCHEMBL8198655 0.81 FNTA (0.41) FNTAFNTB
SCHEMBL8227708 0.80 CYP19A1 (0.41) FNTAFNTB
SCHEMBL8205624 0.78 CA2 (0.46) SMN1; SMN2KMT2ANPSR1FNTAFNTB
SCHEMBL8199776 0.77 FNTA (0.49) FNTAFNTB
SCHEMBL8211056 0.76 FNTA (0.40) NAMPTSMN1; SMN2FNTAFNTBGAA
SCHEMBL8207254 0.76 FNTA (0.47) FNTAFNTB
SCHEMBL8273539 0.75 GAA (0.43) NAMPTSMN1; SMN2KMT2AGAAALDH1A1

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-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed