SCHEMBL8977758

SCHEMBL8977758

O=[N+]([O-])c1ccc(N/N=C/c2cccnc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 1/20 0.60
CCR6 P51684 1/20 0.60
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP2D6 P10635 2/20 0.59
GAA P10253 1/20 0.59
TLR9 Q9NR96 1/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
TNNI3 P19429 1/20 0.58
TNNT2 P45379 1/20 0.58
TNNC1 P63316 1/20 0.58
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
CDK5 Q00535 1/20 0.57
CDK5R1 Q15078 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56

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
SCHEMBL8977759 1.00 MAPT (1.00) MAPTCYP1A2CYP3A4CCR6NPC1
SCHEMBL7859404 0.87 MAPT (0.77) MAPTCYP1A2CCR6NPC1RAB9A
SCHEMBL7863715 0.87 MAPT (0.77) MAPTCYP1A2CCR6NPC1RAB9A
SCHEMBL8977618 0.86 MAPT (0.75) MAPTCYP1A2CCR6NPC1RAB9A
SCHEMBL8977620 0.86 MAPT (0.75) MAPTCYP1A2CCR6NPC1RAB9A
SCHEMBL8977647 0.82 MAPT (0.69) MAPTCYP1A2CCR6NPC1RAB9A
SCHEMBL8977653 0.82 MAPT (0.69) MAPTCYP1A2CCR6NPC1RAB9A
SCHEMBL8977757 0.81 MAPT (0.68) MAPTCYP1A2CCR6NPC1RAB9A
SCHEMBL8977756 0.81 MAPT (0.68) MAPTCYP1A2CCR6NPC1RAB9A
SCHEMBL28481772 0.81 KMT2A (0.68) MAPTCYP1A2CCR6NPC1RAB9A

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