SCHEMBL9123166

SCHEMBL9123166

Cc1cc2ncn(CCCCCCO)c2cc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
MAPT P10636 3/20 0.60
HTT P42858 2/20 0.60
TP53 P04637 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 3/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 3/20 0.52
P2RX7 Q99572 1/20 0.51
GGPS1 O95749 1/20 0.50
FDPS P14324 1/20 0.50
KCNH2 Q12809 1/20 0.49
FABP6 P51161 1/20 0.46
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
PLAA Q9Y263 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALPG P10696 1/20 0.44

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
SCHEMBL9128299 0.98 LMNA (0.71) LMNAMAPTHTTTP53MEN1
SCHEMBL9128979 0.94 LMNA (0.73) LMNAMAPTHTTTP53MEN1
SCHEMBL9124586 0.87 LMNA (0.68) LMNAMAPTHTTTP53MEN1
SCHEMBL4185454 0.84 LMNA (0.64) LMNAMAPTHTTTP53MEN1
SCHEMBL8088089 0.83 LMNA (0.71) LMNAMAPTHTTTP53MEN1
SCHEMBL9037446 0.82 LMNA (0.76) LMNAMAPTHTTTP53MEN1
SCHEMBL19911300 0.82 LMNA (1.00) LMNAMAPTHTTTP53MEN1
SCHEMBL13668113 0.82 LMNA (0.66) LMNAMAPTHTTTP53MEN1
SCHEMBL15779866 0.78 LMNA (0.81) LMNAMAPTHTTTP53MEN1
SCHEMBL30199049 0.77 LMNA (0.68) LMNAMAPTHTTTP53MEN1

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
US-5405839-A Vitamin B12 antagonist; inhibits cell growth; anticancer agents TEIJIN LIMITED (JP) 1995-04-11 US disclosed
EP-0425680-A1 NEW VITAMIN B 12? DERIVATIVE, PRODUCTION THEREOF, AND APPLICATION THEREOF TEIJIN LIMITED (JP) 1991-05-08 EP disclosed