SCHEMBL27623950

SCHEMBL27623950

O=C(c1coc(-c2ccncc2)c1)c1coc(-c2ccncc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NR4A2 P43354 1/20 0.44
PTK2 Q05397 1/20 0.42
LMNA P02545 3/20 0.41
LTA4H P09960 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
PKM P14618 2/20 0.38
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
CDC7 O00311 1/20 0.38
QPCT Q16769 1/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A1 P04798 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
SCHEMBL4183564 0.87 NR4A2 (0.58) MEN1KMT2ANR4A2PTK2HDAC1
SCHEMBL27605054 0.79 KMO (0.49) KMT2ALMNAIP6K1IP6K3IP6K2
SCHEMBL2682843 0.77 MEN1 (0.54) MEN1KMT2ANR4A2LMNAPKM
SCHEMBL28752617 0.74 CES2 (0.39) NR4A2HDAC1HDAC6MAPTALDH1A1
SCHEMBL6194630 0.73 PTK2 (0.42) PTK2LMNAPKMCDC7QPCT
SCHEMBL27605041 0.73 CNR2 (0.49) MEN1KMT2ANR4A2HDAC6ALDH1A1
SCHEMBL4474507 0.72 PTK2 (0.45) MEN1KMT2APTK2LMNAPKM
SCHEMBL133997 0.71 LMNA (0.50) MEN1KMT2ALMNALTA4HHDAC1
SCHEMBL27623995 0.70 HDAC1 (0.63) MEN1KMT2ALMNALTA4HHDAC1
SCHEMBL27605092 0.69 LMNA (0.42) MEN1KMT2ALMNAHDAC1HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100343256-C Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2007-10-17 CN claimed
CN-1678615-A Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists ASTRAZENECA AB (SE) 2005-10-05 CN claimed
CN-100343256-C Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2007-10-17 CN disclosed
CN-1678615-A Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists ASTRAZENECA AB (SE) 2005-10-05 CN disclosed