SCHEMBL205088

SCHEMBL205088

CC(C)(C)OC(=O)N1CCCn2c1nc1cnc3cc(Br)ccc3c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.34
MAPT P10636 1/20 0.33
CYP8B1 Q9UNU6 1/20 0.33
CKS1B P61024 2/20 0.32
SKP1 P63208 2/20 0.32
SKP2 Q13309 2/20 0.32
POLB P06746 1/20 0.32
USP30 Q70CQ3 3/20 0.32
EPHA2 P29317 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRA6 Q16445 1/20 0.31
UCHL1 P09936 1/20 0.31
PIK3CD O00329 1/20 0.31
SCN5A Q14524 1/20 0.30

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
SCHEMBL4520769 0.84 POLB (0.36) MAPTCYP8B1POLB
SCHEMBL203265 0.83 TLR7 (0.39) BACE1
SCHEMBL1233797 0.83 CYP8B1 (0.38) BACE1MAPTCYP8B1CKS1BSKP1
SCHEMBL203622 0.81 BACE1 (0.33) BACE1MAPTUSP30
SCHEMBL202535 0.71 KMT2A (0.41) MAPTCKS1BSKP1SKP2POLB
SCHEMBL22075398 0.71 UCHL1 (0.38) MAPTCKS1BSKP1SKP2POLB
SCHEMBL30074854 0.70 HPGDS (0.43) USP30EPHA2PIK3CDSCN9A
SCHEMBL29036523 0.70 HPGDS (0.43) USP30PIK3CDSCN9A
SCHEMBL30074832 0.70 HPGDS (0.43) USP30PIK3CDSCN9A
SCHEMBL29036539 0.70 HPGDS (0.43) USP30EPHA2PIK3CDSCN9A

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-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed