SCHEMBL22325935

SCHEMBL22325935

Cc1cccc(C)c1Oc1c(Br)ccc(NNc2ccc(Br)c(F)c2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.35
KMT2A Q03164 6/20 0.33
MEN1 O00255 4/20 0.33
MAPT P10636 3/20 0.33
KAT2B Q92831 1/20 0.33
POLB P06746 2/20 0.32
HPGD P15428 2/20 0.32
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL22326077 0.83 MAPT (0.38) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL22325934 0.82 ALDH1A1 (0.40) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL22325857 0.80 EPAS1 (0.43) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL22326090 0.79 PTGER4 (0.34) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL22325902 0.76 MAPT (0.39) ALDH1A1TSHRKMT2AMEN1MAPT
SCHEMBL22326003 0.76 ALDH1A1 (0.46) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL22325789 0.74 MAPT (0.37) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL22325961 0.72 ALDH1A1 (0.41) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL16738942 0.72 PTGER4 (0.38) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL22325879 0.70 MAPT (0.35) ALDH1A1TDP1TSHRKMT2AMEN1

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