SCHEMBL7904673

SCHEMBL7904673

Cc1cc(Cl)c(O)c2nc(CN3CCCC3)n(CC3CC3)c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
ERAP1 Q9NZ08 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
GLA P06280 4/20 0.38
GAA P10253 4/20 0.38
HPGD P15428 4/20 0.38
STAT6 P42226 1/20 0.38
MELK Q14680 4/20 0.37
HIF1A Q16665 2/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GFER P55789 1/20 0.36
NPC1 O15118 1/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL7904228 0.91 NPC1 (0.39) MEN1POLBKMT2AERAP1ALDH1A1
SCHEMBL7903324 0.90 NPC1 (0.41) POLBALDH1A1KDM4EGLAGAA
SCHEMBL7899046 0.84 ALDH1A1 (0.41) MEN1POLBKMT2AERAP1ALDH1A1
SCHEMBL7906217 0.84 TP53 (0.39) POLBALDH1A1KDM4EGLAGAA
SCHEMBL7897320 0.78 NPC1 (0.43) MEN1POLBKMT2AERAP1ALDH1A1
SCHEMBL3467749 0.76 HSD17B13 (0.37) MEN1POLBKMT2AALDH1A1KCNH2
SCHEMBL7904657 0.76 NPC1 (0.42) MEN1KMT2AALDH1A1KDM4EGLA
SCHEMBL7902906 0.75 NPC1 (0.45) MEN1POLBKMT2AERAP1ALDH1A1
SCHEMBL7903482 0.74 HSD17B13 (0.37) MELK
SCHEMBL7899042 0.74 HSD17B13 (0.35) ERAP1ALDH1A1KDM4EGLAGAA

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-2010071944-A1 QUINAZOLINONE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-07-01 WO disclosed