SCHEMBL29094803

SCHEMBL29094803

Cc1ccc(C=[N+]([O-])Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
CA12 O43570 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
CA9 Q16790 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.38
ACHE P22303 2/20 0.38
BACE1 P56817 1/20 0.38
FBP1 P09467 1/20 0.38
CYP2C19 P33261 1/20 0.38
BCHE P06276 3/20 0.37
POLB P06746 1/20 0.37

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 0.87 BCHE (0.41) NPC1RAB9AFBP1BCHEPOLB
SCHEMBL20562244 0.87 BCHE (0.41) NPC1RAB9AFBP1BCHEPOLB
SCHEMBL76727 0.87 BCHE (0.41) NPC1RAB9AFBP1BCHEPOLB
SCHEMBL18308942 0.83 MAPT (0.45) HTTATML3MBTL1NPC1RAB9A
SCHEMBL29094776 0.82 G6PD (0.51) L3MBTL1NPC1RAB9ALMNAACHE
SCHEMBL29094816 0.82 G6PD (0.51) NPC1ACHEBACE1FBP1BCHE
SCHEMBL29094784 0.82 ALDH1A1 (0.56) NPC1RAB9AACHEBACE1FBP1
SCHEMBL29094810 0.81 TRPA1 (0.49) HTTRAB9ALMNAFBP1POLB
SCHEMBL29094804 0.81 FBP1 (0.45) ATMNPC1RAB9AACHEBACE1
SCHEMBL29094778 0.81 RAB9A (0.43) HTTL3MBTL1NPC1RAB9ASMN1; SMN2

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-115583970-B Method for preparing alpha- (hydroxyamino) diaryl phosphine oxide from nitrone 华北理工大学 2024-11-26 CN disclosed
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