SCHEMBL5280835

SCHEMBL5280835

CCCCn1nnc([N+](=O)[O-])c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
ALDH1A1 P00352 3/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HCAR3 P49019 2/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
TOP2A P11388 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.34
GRM2 Q14416 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
CNR2 P34972 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL5284437 0.94 SLC9A1 (0.43) SLC9A1ALDH1A1ATML3MBTL1KDM4E
SCHEMBL5279213 0.90 KDM4E (0.42) SLC9A1ALDH1A1ATML3MBTL1KDM4E
SCHEMBL5283528 0.83 KDM4E (0.41) SLC9A1ALDH1A1ATML3MBTL1KDM4E
SCHEMBL5276240 0.82 ALDH1A1 (0.41) SLC9A1ALDH1A1ATML3MBTL1HCAR3
SCHEMBL5286658 0.82 SLC9A1 (0.38) SLC9A1ALDH1A1ATML3MBTL1HCAR3
SCHEMBL5276739 0.81 SLC9A1 (0.37) SLC9A1ALDH1A1ATML3MBTL1HCAR3
SCHEMBL5282873 0.81 GRM2 (0.40) SLC9A1ALDH1A1ATML3MBTL1HCAR3
SCHEMBL5274531 0.81 SLC9A1 (0.37) SLC9A1ALDH1A1ATML3MBTL1HCAR3
SCHEMBL5282105 0.80 ALDH1A1 (0.35) SLC9A1ALDH1A1ATML3MBTL1KDM4E
SCHEMBL5281679 0.79 SLC9A1 (0.36) SLC9A1ALDH1A1ATML3MBTL1HCAR3

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