SCHEMBL9402020

SCHEMBL9402020

O=[N+]([O-])c1ccc(-n2ccnc2S)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
CYP1A2 P05177 1/20 0.45
HTT P42858 1/20 0.44
NOS1 P29475 1/20 0.43
CYP19A1 P11511 2/20 0.42
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KAT2B Q92831 1/20 0.40

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
SCHEMBL8653890 0.81 FGFR1 (0.53) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL17743745 0.80 MEN1 (0.45) KMT2AMEN1CYP1A2HTTNOS1
SCHEMBL5390679 0.80 MAPT (0.47) KMT2AMEN1CYP1A2HTTNOS1
SCHEMBL2048930 0.80 ALDH1A1 (0.57) KMT2AMEN1CYP1A2HTTNOS1
SCHEMBL7557950 0.80 MEN1 (0.45) KMT2AMEN1CYP1A2HTTNOS1
SCHEMBL9802632 0.80 MAPT (0.51) KMT2AMEN1CYP1A2MAPTPOLB
SCHEMBL3746738 0.80 PDE4A (0.46) KMT2AMEN1CYP1A2HTTNOS1
SCHEMBL9615636 0.80 KMT2A (0.48) KMT2AMEN1CYP1A2HTTNOS1
SCHEMBL3750875 0.78 ALDH1A1 (0.43) KMT2AMEN1CYP1A2HTTNOS1
SCHEMBL10425561 0.76 KMT2A (0.55) KMT2AMEN1HTTNOS1CYP19A1

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-6043508-A None JP disclosed
JP-H0643508-A ORGANIC NONLINEAR OPTICAL MATERIAL SHARP CORP 1994-02-18 JP disclosed