SCHEMBL1114292

SCHEMBL1114292

Oc1c(Cl)cc(C2=NCN(Cc3cccc(OC(F)F)c3)O2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.36
KIT P10721 2/20 0.36
P2RX7 Q99572 1/20 0.35
DAO P14920 2/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
KMT2A Q03164 1/20 0.35
KAT2B Q92831 1/20 0.35
ROCK2 O75116 4/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
GRK2 P25098 1/20 0.34
CETP P11597 1/20 0.34
SCN1A P35498 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
TNIK Q9UKE5 1/20 0.33

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
SCHEMBL1114749 0.88 HSD17B13 (0.40) P2RX7ROCK2CETP
SCHEMBL1114303 0.78 MEP1B (0.36) MEP1BKITP2RX7DAOHCRTR1
SCHEMBL1114208 0.75 KDM4E (0.36)
SCHEMBL1114291 0.69 CETP (0.35) MEP1BP2RX7DAOHCRTR1HCRTR2
SCHEMBL1114304 0.69 HCRTR1 (0.36) MEP1BKITP2RX7DAOHCRTR1
SCHEMBL3242011 0.65 ROCK2 (0.42) MEP1BKITKMT2AROCK2
SCHEMBL3247033 0.65 KMT2A (0.46) KMT2AROCK2
SCHEMBL31010320 0.62 SMN1; SMN2 (0.58) KMT2A
SCHEMBL1776057 0.62 MEP1B (0.54) MEP1BDAOKMT2AROCK2
SCHEMBL10913301 0.62 MEP1B (0.50) MEP1BDAOHCRTR1HCRTR2KMT2A

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