SCHEMBL452165

SCHEMBL452165

CCCCOC(=O)NCCN(Cc1cncn1C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.46
FNTB P49356 13/20 0.46
PGGT1B P53609 12/20 0.46
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
MCL1 Q07820 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL4896396 0.84 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL452166 0.80 FNTA (0.37) FNTAFNTBPGGT1BNPC1RAB9A
SCHEMBL4896990 0.79 FNTA (0.50) FNTAFNTBPGGT1BNPC1RAB9A
SCHEMBL15125039 0.70 FNTA (0.69) FNTAFNTBPGGT1B
SCHEMBL4901913 0.69 FNTA (0.49) FNTAFNTBPGGT1BNPC1RAB9A
SCHEMBL4686868 0.68 ITGB3 (0.43)
SCHEMBL11661091 0.68 ACHE (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4900259 0.67 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL4901285 0.66 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL4898703 0.65 FNTA (0.53) 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