SCHEMBL8986931

SCHEMBL8986931

Nc1c2ccccc2c(N)c2c(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
TNKS O95271 2/20 0.42
TNKS2 Q9H2K2 2/20 0.42
PARP2 Q9UGN5 2/20 0.42
PARP1 P09874 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL27214760 0.80 ALDH1A1 (0.56) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL10441608 0.78 MEN1 (0.45) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL9821491 0.78 ALDH1A1 (0.56) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8986919 0.78 ALDH1A1 (0.60) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL9666436 0.78 ALDH1A1 (0.65) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL8986934 0.76 ACHE (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28866677 0.75 SMN1; SMN2 (0.48) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL22409591 0.74 ALDH1A1 (0.60) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL28260452 0.73 ALDH1A1 (0.54) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL23235652 0.72 CYP3A4 (0.56) MEN1KMT2ALMNASMN1; SMN2HTT

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-5482822-A MULTILAYER ELEMENT FOR OPTICAL DISKS WITH SUBSTRATE AND OPTICAL COATINGS CANON KABUSHIKI KAISHA (JP) 1996-01-09 US disclosed