SCHEMBL9507369

SCHEMBL9507369

N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
ALDH1A1 P00352 5/20 0.68
HSPB1 P04792 4/20 0.68
MERTK Q12866 1/20 0.65
POLB P06746 1/20 0.60
LMNA P02545 4/20 0.53
GAA P10253 3/20 0.53
HTT P42858 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GLA P06280 2/20 0.53
HPGD P15428 1/20 0.53
LRRK2 Q5S007 1/20 0.49
THRB P10828 1/20 0.49
PDE7A Q13946 2/20 0.48
TTR P02766 2/20 0.47
MAPK1 P28482 1/20 0.45

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
SCHEMBL27729647 0.87 MERTK (0.67) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL11322040 0.86 MEN1 (0.82) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL11420199 0.84 MERTK (0.53) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL2969404 0.84 MERTK (0.71) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL27720337 0.83 MAPT (0.77) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL28589234 0.82 MAPT (0.75) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL810366 0.82 MERTK (0.60) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL3128583 0.81 HSPB1 (0.59) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL27713527 0.81 ALDH1A1 (0.73) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL8968903 0.81 MERTK (0.59) MAPTMEN1KMT2AALDH1A1HSPB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5148215-A None JP disclosed
JP-H05148215-A AROMATIC DIAMINE CONTAINING CYANO GROUP AND ITS PRODUCTION KANEGAFUCHI CHEM IND CO LTD 1993-06-15 JP disclosed