SCHEMBL5281132

SCHEMBL5281132

CCn1nnc([N+](=O)[O-])c1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
MAOA P21397 1/20 0.33
SLC9A1 P19634 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL5276496 0.85 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1L3MBTL1ATMKMT2A
SCHEMBL5276240 0.82 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1L3MBTL1ATMKMT2A
SCHEMBL5282394 0.81 NPC1 (0.34) SMN1; SMN2ALDH1A1KMT2ANPC1MAPT
SCHEMBL5274630 0.80 SLC9A1 (0.41) SMN1; SMN2ALDH1A1L3MBTL1ATMKMT2A
SCHEMBL5276783 0.79 MAPT (0.35) SMN1; SMN2ALDH1A1KMT2ANPC1MAPT
SCHEMBL5279772 0.79 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL5283528 0.79 KDM4E (0.41) SMN1; SMN2ALDH1A1L3MBTL1ATMKMT2A
SCHEMBL5277744 0.79 GRIA1 (0.34) SMN1; SMN2ALDH1A1KMT2ANPC1MAPT
SCHEMBL5275582 0.77 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1KMT2ANPC1MAPT
SCHEMBL5278080 0.77 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1

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
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed