SCHEMBL5283528

SCHEMBL5283528

CCn1nnc([N+](=O)[O-])c1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
SLC9A1 P19634 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BLM P54132 1/20 0.33
HCAR3 P49019 1/20 0.31
POLB P06746 2/20 0.30

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
SCHEMBL5279213 0.86 KDM4E (0.42) KDM4EALDH1A1L3MBTL1ATMSLC9A1
SCHEMBL5280835 0.83 SLC9A1 (0.41) KDM4EALDH1A1L3MBTL1ATMSLC9A1
SCHEMBL5284437 0.80 SLC9A1 (0.43) KDM4EALDH1A1L3MBTL1ATMSLC9A1
SCHEMBL5281132 0.79 SMN1; SMN2 (0.36) ALDH1A1L3MBTL1ATMSLC9A1NPC1
SCHEMBL5282394 0.79 NPC1 (0.34) KDM4EALDH1A1SLC9A1NPC1MAPT
SCHEMBL5276783 0.78 MAPT (0.35) KDM4EALDH1A1SLC9A1NPC1MAPT
SCHEMBL5279772 0.78 SMN1; SMN2 (0.36) KDM4EALDH1A1SLC9A1NPC1MAPT
SCHEMBL5277744 0.78 GRIA1 (0.34) KDM4EALDH1A1SLC9A1NPC1MAPT
SCHEMBL5278562 0.77 ALDH1A1 (0.31) KDM4EALDH1A1L3MBTL1ATMNPC1
SCHEMBL5275582 0.75 ALDH1A1 (0.32) ALDH1A1NPC1MAPTKMT2ALMNA

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