SCHEMBL8977670

SCHEMBL8977670

O=[N+]([O-])c1ccc(NN=Cc2ccncn2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.65
CCR6 P51684 1/20 0.58
HKDC1 Q2TB90 1/20 0.56
TNNI3 P19429 1/20 0.56
TNNT2 P45379 1/20 0.56
TNNC1 P63316 1/20 0.56
TLR9 Q9NR96 2/20 0.54
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
HTT P42858 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
PSMD14 O00487 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL8977664 1.00 MAPT (0.65) MAPTCCR6HKDC1TNNI3TNNT2
SCHEMBL8977757 0.85 MAPT (0.68) MAPTCCR6HKDC1TNNI3TNNT2
SCHEMBL23550097 0.85 MAPT (0.65) MAPTCCR6HKDC1TNNI3TNNT2
SCHEMBL8977756 0.85 MAPT (0.68) MAPTCCR6HKDC1TNNI3TNNT2
SCHEMBL8977620 0.84 MAPT (0.75) MAPTCCR6HKDC1TNNI3TNNT2
SCHEMBL8977618 0.84 MAPT (0.75) MAPTCCR6HKDC1TNNI3TNNT2
SCHEMBL8977653 0.80 MAPT (0.69) MAPTCCR6HKDC1TNNI3TNNT2
SCHEMBL8977647 0.80 MAPT (0.69) MAPTCCR6HKDC1TNNI3TNNT2
SCHEMBL8977746 0.79 MAPT (0.57) MAPTCCR6HKDC1TNNI3TNNT2
SCHEMBL8977744 0.79 MAPT (0.57) MAPTCCR6HKDC1TNNI3TNNT2

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