SCHEMBL27655698

SCHEMBL27655698

O=[N+]([O-])c1cncc(Br)c1-c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
CASP6 P55212 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 2/20 0.43
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
GPR35 Q9HC97 2/20 0.39
CTSB P07858 1/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.37

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
SCHEMBL28883625 0.82 S100A4 (0.40) MAPTPOLBAPEX1CASP6KMT2A
SCHEMBL27655697 0.76 AAK1 (0.40) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL28763126 0.74 ALDH1A1 (0.48) MAPTPOLBAPEX1CASP6KMT2A
SCHEMBL30774912 0.72 GPR35 (0.42) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL690072 0.72 GPR35 (0.42) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5707256 0.70 ALDH1A1 (0.59) MAPTPOLBAPEX1CASP6KMT2A
SCHEMBL27651637 0.70 KMT2A (0.45) MAPTPOLBAPEX1CASP6KMT2A
SCHEMBL3476440 0.69 MAPT (0.59) MAPTPOLBAPEX1CASP6KMT2A
SCHEMBL30997911 0.68 MEN1 (0.40) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL30991375 0.68 MAPT (0.50) MAPTPOLBAPEX1CASP6KMT2A

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