SCHEMBL22325902

SCHEMBL22325902

CNc1ccc(Br)c(F)c1[N+](=O)[O-].CNc1ccc(Br)c(Oc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
MLNR O43193 1/20 0.36
MMP1 P03956 1/20 0.36
MPO P05164 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP19A1 P11511 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL16739068 0.93 MAPT (0.43) MAPTALDH1A1NPSR1ATMMEN1
SCHEMBL22326077 0.90 MAPT (0.38) MAPTALDH1A1NPSR1ATMMEN1
SCHEMBL22325789 0.87 MAPT (0.37) MAPTALDH1A1NPSR1ATMMEN1
SCHEMBL16738942 0.83 PTGER4 (0.38) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL22325925 0.82 PIN1 (0.39) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL16738867 0.81 ALDH1A1 (0.43) MAPTALDH1A1NPSR1ATMMEN1
SCHEMBL22325843 0.79 MAPT (0.41) MAPTALDH1A1NPSR1ATMMEN1
SCHEMBL22326076 0.79 CA12 (0.40) MAPTALDH1A1NPSR1ATMMEN1
SCHEMBL22326090 0.79 PTGER4 (0.34) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL22325879 0.78 MAPT (0.35) MAPTALDH1A1NPSR1MEN1KMT2A

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
WO-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 WO disclosed