SCHEMBL31025944

SCHEMBL31025944

O=[N+]([O-])c1ccc(S(=O)(=O)C(F)(F)F)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.49
TDP1 Q9NUW8 4/20 0.48
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 7/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 4/20 0.43
AR P10275 1/20 0.42
PTPN1 P18031 1/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 3/20 0.40
S1PR4 O95977 1/20 0.39
XBP1 P17861 1/20 0.39
S1PR1 P21453 1/20 0.39
MC4R P32245 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL31603818 0.85 CTSB (0.50) CTSBTDP1KMT2AMEN1ALDH1A1
SCHEMBL31603819 0.85 CTSB (0.50) CTSBTDP1KMT2AMEN1ALDH1A1
SCHEMBL31251153 0.80 KMT2A (0.63) TDP1LMNAMAPTL3MBTL1MAPK1
SCHEMBL2519055 0.79 CTSB (0.41) CTSBTDP1LMNAMAPTL3MBTL1
SCHEMBL140100 0.78 TDP1 (0.53) CTSBTDP1KMT2AMEN1ALDH1A1
SCHEMBL9680529 0.78 CTSB (0.58) CTSBTDP1LMNAMAPTKMT2A
SCHEMBL31603825 0.78 TDP1 (0.53) CTSBTDP1KMT2AMEN1ALDH1A1
SCHEMBL2514812 0.77 CTSB (0.39) CTSBTDP1LMNAMAPTL3MBTL1
SCHEMBL7788656 0.76 TDP1 (0.80) CTSBTDP1LMNAMAPTKMT2A
Trifluoromethanesulfonic Acid SCHEMBL646668 0.75 CTSB (0.43) CTSBTDP1LMNAMAPTL3MBTL1

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-118439966-B Synthesis method of p-nitroaniline compound 南昌大学 2024-10-11 CN disclosed
CN-118439966-A Synthesis method of p-nitroaniline compound 南昌大学 2024-08-06 CN disclosed