SCHEMBL5280230

SCHEMBL5280230

CCCCn1nnc([N+](=O)[O-])c1CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
TOP2A P11388 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HCAR3 P49019 1/20 0.32
GRM2 Q14416 1/20 0.31
HTT P42858 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
ACHE P22303 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 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
SCHEMBL5280264 0.94 SLC9A1 (0.37) SLC9A1CNR1CNR2ALDH1A1ATM
SCHEMBL5278662 0.91 GRIA4 (0.34) SLC9A1TOP2AALDH1A1KMT2AHTT
SCHEMBL5274531 0.85 SLC9A1 (0.37) SLC9A1CNR1CNR2TOP2AALDH1A1
SCHEMBL5276676 0.85 GRIA1 (0.31) ALDH1A1NPC1
SCHEMBL5275423 0.84 SLC9A1 (0.36) SLC9A1CNR1CNR2TOP2AALDH1A1
SCHEMBL5281679 0.84 SLC9A1 (0.36) SLC9A1CNR1CNR2TOP2AALDH1A1
SCHEMBL5276968 0.80 SLC9A1 (0.34) SLC9A1CNR1CNR2TOP2AALDH1A1
SCHEMBL5274060 0.79 SLC9A1 (0.40) SLC9A1CNR1CNR2ALDH1A1ATM
SCHEMBL5279016 0.79 CNR1 (0.41) SLC9A1CNR1CNR2TOP2AALDH1A1
SCHEMBL5280244 0.79 CYP1A2 (0.34) ALDH1A1ATML3MBTL1KMT2AHTT

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