SCHEMBL29095967

SCHEMBL29095967

Nc1cccnc1Br.Nc1ncccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
APAF1 O14727 1/20 0.42
TDP2 O95551 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
HTT P42858 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAPRT Q6XQN6 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
SCHEMBL102167 0.87
SCHEMBL311652 0.87
SCHEMBL29907224 0.87
Acetic Acid SCHEMBL29112463 0.74 NAPRT (0.53) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL212732 0.73
SCHEMBL29580420 0.73
SCHEMBL1066257 0.73 NOS3 (0.56) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL88338 0.73
SCHEMBL29361805 0.73
Hydrochloric Acid SCHEMBL3635798 0.71

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-116745298-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2023-09-12 CN disclosed