SCHEMBL28548824

SCHEMBL28548824

Clc1cc(Cl)c(N=Nc2ccccc2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TRPA1 O75762 1/20 0.46
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
MAPT P10636 7/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
HSP90AA1 P07900 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL28548821 1.00 ALDH1A1 (0.52) ALDH1A1CASP3SENP7SENP6L3MBTL1
SCHEMBL5881155 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4634658 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL10817979 0.79 ALDH1A1 (0.60) ALDH1A1CASP3SENP7SENP6L3MBTL1
SCHEMBL11143733 0.79 MEN1 (0.54) ALDH1A1CASP3SENP7SENP6L3MBTL1
SCHEMBL11143729 0.79 MEN1 (0.54) ALDH1A1CASP3SENP7SENP6L3MBTL1
SCHEMBL19939981 0.78 ALDH1A1 (0.52) ALDH1A1CASP3SENP7SENP6L3MBTL1
Azobenzene SCHEMBL28558670 0.76 ALDH1A1 (0.71) ALDH1A1CASP3SENP7SENP6L3MBTL1
SCHEMBL10408855 0.75 ALDH1A1 (0.80) ALDH1A1CASP3SENP7SENP6TRPA1
SCHEMBL28233536 0.75 ALDH1A1 (0.48) ALDH1A1CASP3SENP7SENP6L3MBTL1

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-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 CN disclosed