SCHEMBL5284602

SCHEMBL5284602

CCCCn1nnc(Br)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
SLC9A1 P19634 4/20 0.38
TOP2A P11388 1/20 0.36
HCAR3 P49019 2/20 0.35
HTT P42858 2/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 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
SCHEMBL5273507 0.94 SLC9A1 (0.41) GRM2SLC9A1TOP2AHCAR3CNR1
SCHEMBL5283087 0.90 GRM2 (0.38) GRM2SLC9A1TOP2AHCAR3LMNA
SCHEMBL5277364 0.83 SLC9A1 (0.38) GRM2SLC9A1TOP2AHCAR3HTT
SCHEMBL5286658 0.83 SLC9A1 (0.38) GRM2SLC9A1TOP2AHCAR3HTT
SCHEMBL5289718 0.82 GRM2 (0.35) GRM2SLC9A1TOP2ANPC1RAB9A
SCHEMBL5277083 0.82 TOP2A (0.38) GRM2SLC9A1TOP2AHCAR3HTT
SCHEMBL5278791 0.82 SLC9A1 (0.37) GRM2SLC9A1TOP2AHCAR3HTT
SCHEMBL5274598 0.82 SLC9A1 (0.37) GRM2SLC9A1TOP2AHCAR3HTT
SCHEMBL5279614 0.81 SMN1; SMN2 (0.38) GRM2SLC9A1TOP2AHCAR3HTT
SCHEMBL5278923 0.81 SLC9A1 (0.36) GRM2SLC9A1TOP2AHCAR3HTT

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