SCHEMBL9954672

SCHEMBL9954672

Nc1nc2ccc(I)cc2c(=O)n1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.52
IDO2 Q6ZQW0 1/20 0.52
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
AKR1C3 P42330 1/20 0.42
XDH P47989 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRKDC P78527 2/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41

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
SCHEMBL9954881 0.85 TDO2 (0.52) TDO2IDO2MAPTSMN1; SMN2NPC1
SCHEMBL9953324 0.83 HCAR1 (0.50) KDM4EPIK3CG
SCHEMBL9954651 0.82 POLB (0.53) TDO2IDO2ALDH1A1MEN1POLB
SCHEMBL9954094 0.82 HCAR1 (0.51) MAPTPOLBPIK3CG
SCHEMBL9953556 0.79 CA12 (0.42) POLB
SCHEMBL9953024 0.79 CA12 (0.52) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL9954066 0.79 PI4KA (0.46) POLBPIK3CGKDRLCKKIT
SCHEMBL9955387 0.78 TDO2 (0.50) TDO2IDO2MAPTSMN1; SMN2NPC1
SCHEMBL9953800 0.77 POLB (0.41) POLBPIK3CG
SCHEMBL9954423 0.77 POLB (0.41) TDO2IDO2POLBPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed