SCHEMBL8043731

SCHEMBL8043731

N=N/C=N/Nc1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.57
NPC1 O15118 10/20 0.57
RAB9A P51151 10/20 0.57
KDM4E B2RXH2 9/20 0.57
KMT2A Q03164 8/20 0.57
MAPT P10636 7/20 0.57
HTT P42858 6/20 0.57
MEN1 O00255 5/20 0.57
TP53 P04637 4/20 0.57
PAX8 Q06710 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
GAA P10253 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 2/20 0.54
GFER P55789 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
XBP1 P17861 1/20 0.54

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
SCHEMBL8043733 1.00 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKDM4EKMT2A
SCHEMBL4929465 0.78 PAX8 (0.73) SMN1; SMN2NPC1RAB9AKDM4EKMT2A
SCHEMBL17190844 0.78 KMT2A (0.78) SMN1; SMN2NPC1RAB9AKDM4EKMT2A
SCHEMBL29033679 0.78 KMT2A (0.78) SMN1; SMN2NPC1RAB9AKDM4EKMT2A
SCHEMBL10143964 0.73 RAB9A (1.00) SMN1; SMN2NPC1RAB9AKDM4EKMT2A
SCHEMBL29692738 0.73 PAX8 (1.00) SMN1; SMN2NPC1RAB9AKDM4EKMT2A
SCHEMBL1164645 0.73 PAX8 (1.00) SMN1; SMN2NPC1RAB9AKDM4EKMT2A
SCHEMBL4405365 0.73 KMT2A (0.70) SMN1; SMN2NPC1RAB9AKDM4EKMT2A
SCHEMBL1164644 0.73 PAX8 (1.00) SMN1; SMN2NPC1RAB9AKDM4EKMT2A
SCHEMBL1164949 0.71 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AKDM4EKMT2A

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
JP-2000103981-A BIOTISSUE STAINING AGENT AGENCY OF IND SCIENCE & TECHNOL 2000-04-11 JP disclosed