SCHEMBL27655697

SCHEMBL27655697

O=[N+]([O-])c1cncc(Br)c1-c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR35 Q9HC97 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPBWR1 P48145 1/20 0.33
ESR1 P03372 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
SCHEMBL27655698 0.76 MAPT (0.43) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL30774912 0.74 GPR35 (0.42) AAK1MEN1KMT2AMAPTMAPK1
SCHEMBL690072 0.74 GPR35 (0.42) AAK1MEN1KMT2AMAPTMAPK1
SCHEMBL5528639 0.72 BACE1 (0.38) MEN1KMT2AMAPTMAPK1GAA
SCHEMBL6059124 0.72 CASP6 (0.47) TSHRALDH1A1LMNA
SCHEMBL28763125 0.71 RPS6KA3 (0.58) MEN1KMT2AMAPTMAPK1GAA
SCHEMBL27769709 0.71 ALK (0.41) MEN1KMT2AMAPTMAPK1GAA
SCHEMBL27376059 0.71 GPR35 (0.57) MEN1KMT2AMAPTMAPK1GAA
SCHEMBL30997911 0.70 MEN1 (0.40) AAK1MEN1KMT2AMAPTMAPK1
SCHEMBL28883625 0.70 S100A4 (0.40) AAK1MEN1KMT2AMAPTMAPK1

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
CN-1933834-A Use of indazolecarboxamide derivatives for the preparation of a medicament for the treatment and prevention of malaria SANOFI AVENTIS (FR) 2007-03-21 CN disclosed