SCHEMBL6923461

SCHEMBL6923461

CCOC(=O)c1cn(C/C=C/c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1-c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.50
FNTB P49356 6/20 0.50
CDC25B P30305 2/20 0.37
CDC25A P30304 1/20 0.36
CDC25C P30307 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HCRTR1 O43613 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
SIRT2 Q8IXJ6 2/20 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
SCHEMBL6923462 1.00 FNTA (0.50) FNTAFNTBCDC25BCDC25ACDC25C
SCHEMBL6922674 0.82 FNTA (0.50) FNTAFNTBCDC25BCDC25ACDC25C
SCHEMBL4682557 0.71 SMN1; SMN2 (0.43) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL6980460 0.70 FNTA (0.67) FNTAFNTBCDC25BCDC25ACDC25C
SCHEMBL4789448 0.70 NR1I2 (0.41) ALDH1A1RAB9ANPC1TDP1SMN1; SMN2
SCHEMBL8070031 0.68 ALDH1A1 (0.49) ALDH1A1MAPTLMNASIRT2GAA
SCHEMBL4072424 0.66 CDC25B (0.68) FNTAFNTBCDC25BCDC25ACDC25C
SCHEMBL6927098 0.66 FNTA (0.43) FNTAFNTBMAPTSIRT2
SCHEMBL18428555 0.65 CDC25B (0.67) FNTAFNTBCDC25BCDC25ACDC25C
SCHEMBL291900 0.65 CDC25B (0.62) FNTAFNTBCDC25BCDC25ACDC25C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518429-B2 Anticancer agents, treating restenosis, atherosclerosis and hepatitis virus LG CHEMICAL, LTD. (KR) 2003-02-11 US disclosed
US-6472526-B1 SHOWS AN INHIBITORY ACTIVITY AGAINST FARNESYL TRANSFERASE OR PHARMACEUTICALLY ACCEPTABLE SALTS OR ISOMERS THEREOF, IN PHARMACEUTICAL COMPOSITION AND INTERMEDIATES LG CHEMICAL LTD. (KR) 2002-10-29 US disclosed
US-6268363-B1 ANTITUMOR LG CHEMICAL LTD. (KR) 2001-07-31 US disclosed