SCHEMBL6692593

SCHEMBL6692593

CCn1c2ccccc2c2nnc(-n3nc(C)c(Cc4cccc([N+](=O)[O-])c4)c3C)nc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
ALDH1A1 P00352 4/20 0.62
KMT2A Q03164 3/20 0.62
TSHR P16473 3/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 2/20 0.62
ALOX15 P16050 1/20 0.62
XBP1 P17861 1/20 0.62
MAPK1 P28482 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAPT P10636 8/20 0.49
HTT P42858 1/20 0.49
HIF1A Q16665 1/20 0.49
TP53 P04637 3/20 0.44
GAA P10253 2/20 0.44
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CYP19A1 P11511 1/20 0.39

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
SCHEMBL6691467 0.91 ALDH1A1 (0.65) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL6689207 0.87 ALDH1A1 (0.69) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL6691886 0.86 ALDH1A1 (0.66) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL6689688 0.86 ALDH1A1 (0.76) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL6716432 0.85 ALDH1A1 (0.67) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL6692622 0.85 ALDH1A1 (0.67) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL6688823 0.83 ALDH1A1 (0.69) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL6696528 0.83 ALDH1A1 (0.64) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL6696874 0.82 ALDH1A1 (0.67) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL6691578 0.81 ALDH1A1 (0.68) LMNAALDH1A1KMT2ATSHRPOLB

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
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 WO disclosed