SCHEMBL28375987

SCHEMBL28375987

Nc1ccc(Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 1.00
RAPGEF4 Q8WZA2 1/20 0.74
MAPT P10636 5/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
KDM4E B2RXH2 3/20 0.67
GAA P10253 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
ALDH1A1 P00352 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
POLB P06746 2/20 0.67
RECQL P46063 2/20 0.67
CASP6 P55212 2/20 0.67
ELAVL1 Q15717 1/20 0.67
NSD2 O96028 1/20 0.66
APEX1 P27695 1/20 0.66
APOBEC3A P31941 1/20 0.66
APOBEC3G Q9HC16 1/20 0.66
MAPK1 P28482 1/20 0.57
GFER P55789 2/20 0.52

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
SCHEMBL2032113 0.92 NT5E (0.85) NT5ERAPGEF4MAPTMEN1KMT2A
SCHEMBL9189649 0.87 RAPGEF4 (0.97) NT5ERAPGEF4MAPTMEN1KMT2A
SCHEMBL866958 0.85 RAPGEF4 (1.00) NT5ERAPGEF4MAPTMEN1KMT2A
SCHEMBL29516556 0.85 RAPGEF4 (1.00) NT5ERAPGEF4MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8652689 0.84 RAPGEF4 (0.97) NT5ERAPGEF4MAPTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL7551968 0.84 RAPGEF4 (0.97) NT5ERAPGEF4MAPTMEN1KMT2A
SCHEMBL10702427 0.83 NT5E (0.71) NT5ERAPGEF4MAPTMEN1KMT2A
SCHEMBL10706036 0.83 NT5E (0.71) NT5ERAPGEF4MAPTMEN1KMT2A
SCHEMBL11104382 0.83 NT5E (0.70) NT5ERAPGEF4MAPTMEN1KMT2A
SCHEMBL11110261 0.82 NT5E (0.69) NT5ERAPGEF4MAPTMEN1KMT2A

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
CN-110878175-B Acid dye for dyeing nylon fiber and preparation method thereof 金华双宏化工有限公司 2021-05-25 CN disclosed
CN-110878175-A Acid dye for dyeing nylon fiber and preparation method thereof 金华双宏化工有限公司 2020-03-13 CN disclosed