SCHEMBL29616947

SCHEMBL29616947

[2H]c1nc(N)nc2c1cnn2Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.53
ADORA1 P30542 4/20 0.53
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
CYP19A1 P11511 1/20 0.38
GLS O94925 1/20 0.38
ACHE P22303 2/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LOXL2 Q9Y4K0 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
SCHEMBL29616962 0.83 HSP90AA1 (0.39) ADORA2AADORA1ADORA3ADORA2BMAPT
SCHEMBL29616953 0.82 ADORA2A (0.44) ADORA2AADORA1LMNAMEN1KMT2A
SCHEMBL23388323 0.78 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL29616987 0.75 ADORA2A (0.47) ADORA2AADORA1LMNAMEN1KMT2A
SCHEMBL28801087 0.74 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL1356145 0.74 ADORA2A (0.44) ADORA2AADORA1L3MBTL1LMNAMEN1
SCHEMBL1355782 0.73 ADORA2A (0.43) ADORA2AADORA1L3MBTL1LMNAMEN1
SCHEMBL1921324 0.70 RECQL (0.65) ADORA2AADORA1LMNAMEN1KMT2A
SCHEMBL11002083 0.70 GLS (0.67) ADORA2AADORA1L3MBTL1LMNAMEN1
SCHEMBL31260563 0.70 ADORA2A (0.61) ADORA2AADORA1ADORA3ADORA2B

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
WO-2022107044-A1 PREVENTION AND/OR TREATMENT OF CNS DISORDERS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-05-27 WO disclosed