SCHEMBL5884829

SCHEMBL5884829

Cc1ccc(N2CCC(CCOc3ccc(C=NOCCF)cc3)CC2)nn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR1I2 O75469 1/20 0.36
KCNH2 Q12809 3/20 0.34
GPR119 Q8TDV5 2/20 0.34
HPGD P15428 4/20 0.34
TEAD1 P28347 1/20 0.32
TEAD3 Q99594 1/20 0.32

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
SCHEMBL14191686 0.94 NR1I2 (0.38) L3MBTL1MEN1KMT2AMAPTTDP1
SCHEMBL5884287 0.91 L3MBTL1 (0.37) L3MBTL1MEN1KMT2AMAPTNR1I2
SCHEMBL5884133 0.90 NR1I2 (0.36) L3MBTL1MAPTNR1I2KCNH2GPR119
SCHEMBL5884689 0.90 KCNH2 (0.39) L3MBTL1MEN1KMT2AMAPTNR1I2
SCHEMBL5884333 0.90 KCNH2 (0.39) L3MBTL1MEN1KMT2AMAPTNR1I2
SCHEMBL5884227 0.90 NR1I2 (0.35) L3MBTL1MEN1KMT2AMAPTTDP1
SCHEMBL5884362 0.88 NR1I2 (0.38) L3MBTL1MAPTNR1I2GPR119HPGD
SCHEMBL5884831 0.88 TEAD1 (0.36) L3MBTL1MAPTNR1I2KCNH2GPR119
SCHEMBL5884782 0.87 NR1I2 (0.35) L3MBTL1MEN1KMT2AMAPTNR1I2
SCHEMBL5884353 0.85 KCNH2 (0.39) L3MBTL1MEN1KMT2AMAPTTDP1

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
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed