SCHEMBL1114303

SCHEMBL1114303

Oc1c(Cl)cc(C2=NCON2Cc2cccc(OC(F)F)c2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.36
KAT2B Q92831 1/20 0.36
P2RX7 Q99572 1/20 0.35
DAO P14920 2/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
KMT2A Q03164 1/20 0.35
KIT P10721 1/20 0.34
ROCK2 O75116 3/20 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
ALKBH1 Q13686 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
SCHEMBL1114553 0.78 MGLL (0.39)
SCHEMBL1114292 0.78 MEP1B (0.36) MEP1BKAT2BP2RX7DAOHCRTR1
SCHEMBL1114291 0.71 CETP (0.35) MEP1BKAT2BP2RX7DAOKCNJ5
SCHEMBL1114336 0.70 KDM4E (0.39) P2RX7KMT2A
SCHEMBL1114304 0.69 HCRTR1 (0.36) MEP1BKAT2BP2RX7DAOKCNJ5
SCHEMBL1114749 0.65 HSD17B13 (0.40) P2RX7ROCK2CETP
SCHEMBL3242011 0.65 ROCK2 (0.42) MEP1BKCNJ5KCNJ3KMT2AKIT
SCHEMBL3247033 0.65 KMT2A (0.46) KMT2AROCK2
SCHEMBL31010320 0.62 SMN1; SMN2 (0.58) KMT2A
SCHEMBL1776057 0.62 MEP1B (0.54) MEP1BDAOKCNJ5KCNJ3KMT2A

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
EP-2278879-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-02-02 EP disclosed