SCHEMBL28548752

SCHEMBL28548752

O=S(=O)(O)c1ccc(Cl)cc1.O=[N+]([O-])c1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
CYP2D6 P10635 1/20 0.64
PTPN1 P18031 6/20 0.57
PTPN6 P29350 6/20 0.57
PTPN11 Q06124 6/20 0.57
PTPN2 P17706 1/20 0.54
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
MAPK1 P28482 4/20 0.48
RAB9A P51151 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
HSP90AA1 P07900 1/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
Nitrobenzene SCHEMBL9782110 0.87 ALDH1A1 (0.55) POLBCYP2D6PTPN1PTPN6PTPN11
SCHEMBL17088269 0.87 POLB (0.61) POLBCYP2D6PTPN1PTPN6PTPN11
SCHEMBL28234580 0.86 POLB (0.64) POLBCYP2D6PTPN1PTPN6PTPN11
SCHEMBL3911788 0.85 FLT1 (0.58) PTPN1PTPN6PTPN11ALDH1A1FLT1
SCHEMBL408153 0.80 POLB (1.00) POLBCYP2D6MAPTMEN1MAPK1
SCHEMBL270426 0.80 MEN1 (0.66) POLBMAPTMEN1MAPK1RAB9A
SCHEMBL29588234 0.80 MEN1 (0.66) POLBMAPTMEN1MAPK1RAB9A
SCHEMBL6563719 0.80 POLB (1.00) POLBCYP2D6MAPTMEN1MAPK1
SCHEMBL270425 0.80 MEN1 (0.66) POLBMAPTMEN1MAPK1RAB9A
SCHEMBL28788411 0.78 POLB (0.96) POLBCYP2D6MAPTMEN1MAPK1

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