SCHEMBL28433397

SCHEMBL28433397

O=C(NNC(=S)NC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 1.00
KMT2A Q03164 9/20 1.00
GAA P10253 6/20 1.00
CRHBP P24387 3/20 0.78
CRHR2 Q13324 3/20 0.78
POLB P06746 3/20 0.78
NLRP3 Q96P20 1/20 0.78
ALDH1A1 P00352 4/20 0.69
HPGD P15428 3/20 0.69
MAPT P10636 2/20 0.69
HTT P42858 1/20 0.67
KDM4E B2RXH2 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
CCR6 P51684 1/20 0.65
LMNA P02545 2/20 0.64

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
SCHEMBL4929277 0.88 MEN1 (0.77) MEN1KMT2AGAAPOLBMAPT
SCHEMBL28434652 0.87 KMT2A (1.00) MEN1KMT2AGAACRHBPCRHR2
SCHEMBL28436333 0.87 KMT2A (1.00) MEN1KMT2AGAACRHBPCRHR2
SCHEMBL11059936 0.85 GAA (0.72) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL11599578 0.84 KMT2A (0.86) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL5455565 0.83 MAPT (0.76) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL11310884 0.82 GAA (0.72) MEN1KMT2AGAACRHBPCRHR2
SCHEMBL28723007 0.81 MEN1 (0.82) MEN1KMT2AGAACRHBPCRHR2
SCHEMBL22429059 0.79 CCR6 (1.00) MEN1KMT2AGAACRHBPCRHR2
SCHEMBL28435178 0.79 MEN1 (0.77) MEN1KMT2AGAACRHBPCRHR2

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-107041374-B Application of N-substituted aryl (arylformamido) -N' -substituted arylformyl thiourea compound in blue algae growth inhibition 华中师范大学 2020-05-05 CN disclosed