SCHEMBL14338151

SCHEMBL14338151

Cn1/c(=N\N=C\N/N=c2/sc3ccccc3n2C)sc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
MAPT P10636 6/20 0.55
RAB9A P51151 6/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
KMT2A Q03164 7/20 0.55
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 4/20 0.51
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
HTT P42858 1/20 0.45
TRPM5 Q9NZQ8 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL5708477 0.81 KMT2A (0.62) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL24086168 0.80 MAPT (0.62) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL8011213 0.80 MAPT (0.60) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL1262943 0.79 MAPT (0.68) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL14607771 0.79 MAPT (0.68) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL1262942 0.79 MAPT (0.68) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL15543287 0.77 MAPT (0.70) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL14104341 0.74 KMT2A (0.61) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL8011206 0.73 MAPT (0.60) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL8011209 0.73 MAPT (0.60) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1

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-7311736-B2 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2007-12-25 US disclosed
US-7311736-B2 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2007-12-25 US disclosed