SCHEMBL3423473

SCHEMBL3423473

COc1cc2c(C)cccc2[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.61
DDO Q99489 1/20 0.61
ATM Q13315 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
ABCG2 Q9UNQ0 2/20 0.46
NQO2 P16083 1/20 0.46
FLT3 P36888 1/20 0.46
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL3418597 0.82 DAO (0.59) DAOATMMEN1NPC1RAB9A
SCHEMBL15690324 0.82 GRIN2D (0.51) DAODDOATMMEN1NPC1
SCHEMBL30716611 0.82 DAO (0.59) DAOATMMEN1NPC1RAB9A
SCHEMBL8581497 0.81 PARP1 (0.46) DAODDOATMMEN1NPC1
SCHEMBL30667289 0.80 DAO (0.71) DAODDOMEN1KMT2AKDM4E
SCHEMBL20247282 0.80 DAO (0.71) DAODDOMEN1KMT2AKDM4E
SCHEMBL12969925 0.80 ATM (0.64) DAODDOATMMEN1NPC1
SCHEMBL7431309 0.78 CYP1A2 (0.56) ATMMEN1NPC1RAB9AKMT2A
SCHEMBL31139816 0.76 DAO (0.65) DAODDOMEN1KMT2AKDM4E
SCHEMBL3423807 0.76 DAO (1.00) DAODDOKDM4EMAPTFLT3

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-2010058314-A1 HYDROXYQUINOLIN-2(1H)-ONES AND DERIVATIVES THEREOF PFIZER INC. (US) 2010-05-27 WO disclosed