SCHEMBL8977658

SCHEMBL8977658

O=[N+]([O-])c1ccc(N/N=C/c2nncc3ccccc23)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3 P19429 1/20 0.67
TNNT2 P45379 1/20 0.67
TNNC1 P63316 1/20 0.67
CCR6 P51684 1/20 0.57
KMT2A Q03164 10/20 0.56
MEN1 O00255 9/20 0.56
MAPT P10636 9/20 0.56
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 3/20 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
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 5/20 0.52
HSP90AA1 P07900 1/20 0.51
PAX8 Q06710 1/20 0.51

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
SCHEMBL8977662 1.00 TNNI3 (0.67) TNNI3TNNT2TNNC1CCR6KMT2A
SCHEMBL8977768 0.85 TNNI3 (0.72) TNNI3TNNT2TNNC1CCR6KMT2A
SCHEMBL8977764 0.85 TNNI3 (0.72) TNNI3TNNT2TNNC1CCR6KMT2A
SCHEMBL8977626 0.81 TNNI3 (0.65) TNNI3TNNT2TNNC1CCR6KMT2A
SCHEMBL8977631 0.81 TNNI3 (0.65) TNNI3TNNT2TNNC1CCR6KMT2A
SCHEMBL7863715 0.77 MAPT (0.77) TNNI3TNNT2TNNC1CCR6KMT2A
SCHEMBL7859404 0.77 MAPT (0.77) TNNI3TNNT2TNNC1CCR6KMT2A
SCHEMBL8977625 0.76 TNNI3 (0.65) TNNI3TNNT2TNNC1CCR6KMT2A
SCHEMBL8977628 0.76 TNNI3 (0.65) TNNI3TNNT2TNNC1CCR6KMT2A
SCHEMBL8977616 0.75 TNNI3 (0.64) TNNI3TNNT2TNNC1CCR6KMT2A

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