SCHEMBL1007319

SCHEMBL1007319

CCOC(=O)c1cc2c([nH]1)C(=CCCc1ccccc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 3/20 0.42
ATM Q13315 2/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ALOX5 P09917 2/20 0.40
TSHR P16473 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL1007318 1.00 SMN1; SMN2 (0.42) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL2075620 0.85 DAO (0.40) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL2075619 0.85 DAO (0.40) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL1004890 0.81 ALDH1A1 (0.46) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL1004891 0.81 ALDH1A1 (0.46) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL1004702 0.73 HRH3 (0.45) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL1056685 0.72 CYP1A2 (0.39) KDM4EALDH1A1GLAGAAMMP2
SCHEMBL1056687 0.72 CYP1A2 (0.39) KDM4EALDH1A1GLAGAAMMP2
SCHEMBL1160540 0.71 ALDH1A1 (0.41) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL1003729 0.70 ATM (0.46) SMN1; SMN2MAPTKDM4EALDH1A1HPGD

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-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed