SCHEMBL7039360

SCHEMBL7039360

O=[N+]([O-])c1cc(Br)cnc1[AsH2]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
AKR1B1 P15121 1/20 0.36
S100A4 P26447 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CTSB P07858 1/20 0.35
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL202290 0.80 ERN1 (0.41) ERN1MEN1KMT2APOLBPKM
SCHEMBL6512051 0.80 ERN1 (0.41) ERN1MEN1KMT2APOLBPKM
SCHEMBL29600703 0.80 ERN1 (0.41) ERN1MEN1KMT2APOLBPKM
SCHEMBL27732124 0.78 KMT2A (0.41) ERN1MEN1KMT2APOLBPKM
SCHEMBL1507262 0.77 SMN1; SMN2 (0.54) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL16095369 0.77 ERN1 (0.39) ERN1MEN1KMT2APOLBPKM
SCHEMBL4048642 0.77 ERN1 (0.39) ERN1MEN1KMT2APOLBPKM
SCHEMBL422756 0.77 ERN1 (0.39) ERN1MEN1KMT2APOLBPKM
SCHEMBL203876 0.77 KMT2A (0.50) ERN1MEN1KMT2APOLBPKM
SCHEMBL202907 0.77 ERN1 (0.46) ERN1MEN1KMT2APOLBPKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490366-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA Pharma AG (DE) 2004-12-29 EP disclosed
WO-2003080607-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA PHARMA AG (DE) 2003-10-02 WO disclosed