SCHEMBL29094804

SCHEMBL29094804

Cc1cccc(C=[N+]([O-])Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.45
BACE1 P56817 1/20 0.42
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
BCHE P06276 1/20 0.40
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
ACHE P22303 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 2/20 0.36
HSP90AA1 P07900 1/20 0.36
ATM Q13315 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL268060 0.82 BCHE (0.41) FBP1TDP1NPC1BCHEMAOB
SCHEMBL20562244 0.82 BCHE (0.41) FBP1TDP1NPC1BCHEMAOB
SCHEMBL76727 0.82 BCHE (0.41) FBP1TDP1NPC1BCHEMAOB
SCHEMBL29094803 0.81 HTT (0.42) FBP1BACE1NPC1BCHEACHE
SCHEMBL29094832 0.81 MAPT (0.35) TDP1NPC1BCHEALDH1A1MAPT
SCHEMBL29094794 0.81 NFE2L2 (0.49) FBP1NPC1MAOAMAOBALDH1A1
SCHEMBL29094789 0.81 FBP1 (0.45) FBP1NPC1MAOAMAOBALDH1A1
SCHEMBL29094806 0.80 G6PC1 (0.50) FBP1BCHEMAOAMAOBACHE
SCHEMBL29094775 0.75 RELA (0.46) BCHEMAOAMAOBALDH1A1MAPT
SCHEMBL23748255 0.75 MAPT (0.41) NPC1BCHEALDH1A1MAPTNPSR1

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-115583970-A Method for preparing alpha- (hydroxy amino) diaryl phosphine oxide from nitrone 华北理工大学 2023-01-10 CN disclosed