SCHEMBL8977620

SCHEMBL8977620

O=[N+]([O-])c1ccc(NN=Cc2ccncc2)nc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.75
TLR9 Q9NR96 2/20 0.65
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61
CDK5 Q00535 1/20 0.61
CDK5R1 Q15078 1/20 0.61
CCR6 P51684 1/20 0.60
HKDC1 Q2TB90 1/20 0.58
TNNI3 P19429 1/20 0.58
TNNT2 P45379 1/20 0.58
TNNC1 P63316 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
PSMD14 O00487 1/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL8977618 1.00 MAPT (0.75) MAPTTLR9KMT2AMEN1NPC1
SCHEMBL7859404 0.88 MAPT (0.77) MAPTTLR9KMT2AMEN1NPC1
SCHEMBL7863715 0.88 MAPT (0.77) MAPTTLR9KMT2AMEN1NPC1
SCHEMBL8977759 0.86 MAPT (1.00) MAPTTLR9KMT2AMEN1NPC1
SCHEMBL8977758 0.86 MAPT (1.00) MAPTTLR9KMT2AMEN1NPC1
SCHEMBL8977670 0.84 MAPT (0.65) MAPTTLR9KMT2AMEN1NPC1
SCHEMBL8977664 0.84 MAPT (0.65) MAPTTLR9KMT2AMEN1NPC1
SCHEMBL8977653 0.82 MAPT (0.69) MAPTTLR9KMT2AMEN1NPC1
SCHEMBL8977647 0.82 MAPT (0.69) MAPTTLR9KMT2AMEN1NPC1
SCHEMBL7860481 0.82 TLR9 (0.67) MAPTTLR9KMT2AMEN1NPC1

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-5569763-A USEFUL AS ORGANIC NONLINEAR OPTICAL MATERIAL AND A HIGHLY SENSITIVE COLORING CHELATION AGENT KABUSHIKI KAISHA TOSHIBA (JP) 1996-10-29 US disclosed