SCHEMBL5137598

SCHEMBL5137598

O=C(O)c1cccc2c(=O)n(Cc3ccc4c(c3)OCCO4)ccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
TP53 P04637 3/20 0.51
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RORA P35398 1/20 0.44
NR5A1 Q13285 1/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EDNRB P24530 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL1893427 0.84 PARP1 (0.47) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL1895931 0.83 ALDH1A1 (0.46) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL12668491 0.83 MAPT (0.47) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL12675462 0.81 MAPT (0.45) MAPTTP53ALDH1A1KDM4ENR5A1
SCHEMBL13079587 0.81 ALDH1A1 (0.44) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL1892742 0.80 MAPT (0.45) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL1896463 0.79 MAPT (0.48) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL12675444 0.78 NR5A1 (0.46) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL2621633 0.78 MAPT (0.62) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL15869762 0.77 LMNA (0.51) MAPTTP53ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937643-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-07-13 EP disclosed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US disclosed
EP-1937643-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-07-02 EP disclosed
WO-2007109160-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed