SCHEMBL454839

SCHEMBL454839

[CH2]CN(Cc1cncn1C)c1ccc(C#N)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.48
FNTB P49356 7/20 0.48
PGGT1B P53609 5/20 0.47
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL12473174 0.82 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL454713 0.79 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL455458 0.78 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL456671 0.75 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL453965 0.71 FNTA (0.50) FNTAFNTBPGGT1B
SCHEMBL455701 0.71 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL7751658 0.71 FNTA (0.43) FNTAFNTBCYP11B1CYP11B2
SCHEMBL8195498 0.71 CYP11B1 (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL17301900 0.71 FNTA (0.40) FNTAFNTBPGGT1B
SCHEMBL7567119 0.70 FNTA (0.68) FNTAFNTBPGGT1B

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-2012034038-A2 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-03-15 WO disclosed