SCHEMBL1114525

SCHEMBL1114525

Oc1c(Cl)cc(C2N=CON2Cc2cccc(C(F)(F)F)c2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.37
S1PR1 P21453 2/20 0.37
S1PR5 Q9H228 2/20 0.37
NPBWR1 P48145 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
MAPK10 P53779 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL1114403 0.87 TEAD1 (0.38) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL1114223 0.76 P2RX7 (0.39) P2RX7KDM4EALDH1A1GAAHTT
SCHEMBL1114522 0.67 ALDH1A1 (0.41) P2RX7KDM4EALDH1A1GAAHTT
SCHEMBL1114224 0.67 KDM4E (0.41) P2RX7KDM4EALDH1A1GAAHTT
SCHEMBL4351774 0.65 FFAR1 (0.54) P2RX7ALDH1A1GAAL3MBTL1MAPT
SCHEMBL1114207 0.64 SRC (0.35) P2RX7KDM4EALDH1A1
SCHEMBL1114748 0.63 HSD17B13 (0.40) P2RX7HSD17B13
SCHEMBL28160828 0.61 POLB (0.54) P2RX7KDM4EALDH1A1GAAHTT
SCHEMBL2917906 0.60 KDM4E (0.63) KDM4EALDH1A1GAAS1PR1S1PR5
SCHEMBL8317087 0.60 ATM (0.58) KDM4EALDH1A1GAAHTTMAPT

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-2278879-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-02-02 EP claimed
WO-2009131957-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
EP-2278879-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-02-02 EP disclosed
WO-2009131957-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed