SCHEMBL13388017

SCHEMBL13388017

[C-]#[N+]c1cnn(-c2ccccc2)c1N=Nc1c(C)nn(-c2nc(C3C=C(C)C(/N=N/c4c([N+]#[C-])cnn4-c4ccccc4)=C3N)nc(-n3nc(C)c(N=Nc4c(C#N)cnn4-c4ccccc4)c3N)n2)c1N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.36
MAPT P10636 5/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
MAPK1 P28482 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.33

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
SCHEMBL1613519 0.89 SMN1; SMN2 (0.44) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL10194305 0.86 SMN1; SMN2 (0.42) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL1613303 0.86 SMN1; SMN2 (0.41) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL10194306 0.84 SMN1; SMN2 (0.40) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL10194308 0.84 SMN1; SMN2 (0.40) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL10194331 0.80 MAPT (0.43) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL10194329 0.80 SMN1; SMN2 (0.39) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL10194295 0.80 SMN1; SMN2 (0.38) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL10194332 0.78 MAPT (0.41) SMN1; SMN2MAPTRAB9ANPC1TDP1
SCHEMBL10052057 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MAPTRAB9ANPC1TDP1

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
US-7704311-B2 Ink composition, manufacturing method of ink, ink set, and recording method FUJIFILM CORPORATION (JP) 2010-04-27 US disclosed