SCHEMBL28076647

SCHEMBL28076647

Nc1cnc([N+](=O)[O-])c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 7/20 0.39
CYP3A4 P08684 4/20 0.39
ALOX15 P16050 3/20 0.36
HPGD P15428 1/20 0.36
CTSB P07858 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.33
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPY1R P25929 1/20 0.32
RECQL P46063 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S1PR4 O95977 1/20 0.31

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
SCHEMBL31475345 0.80 MAPT (0.47) MAPTALDH1A1CYP3A4HPGDTDP1
SCHEMBL8562235 0.80 TDP1 (0.48) MAPTALDH1A1CYP3A4ALOX15HPGD
SCHEMBL8568828 0.80 TDP1 (0.48) MAPTALDH1A1CYP3A4ALOX15HPGD
SCHEMBL8566803 0.78 ALOX15 (0.44) MAPTALDH1A1CYP3A4ALOX15HPGD
SCHEMBL8566378 0.77 ALDH1A1 (0.36) MAPTALDH1A1CYP3A4ALOX15HPGD
SCHEMBL3770753 0.77 MAPT (0.45) MAPTALDH1A1CYP3A4TDP1LMNA
SCHEMBL31289923 0.77 MAPT (0.45) MAPTALDH1A1TDP1TSHRMAPK1
SCHEMBL8567243 0.77 CA2 (0.38) MAPTALDH1A1ALOX15HPGDNPY1R
SCHEMBL899057 0.73 MAPT (0.41) MAPTALDH1A1CYP3A4ALOX15HPGD
SCHEMBL8569645 0.73 ALDH1A1 (0.42) MAPTALDH1A1CYP3A4ALOX15HPGD

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-105658646-A Aminoheteroaryl benzamides as kinase inhibitors 诺华股份有限公司 2016-06-08 CN disclosed