SCHEMBL534847

SCHEMBL534847

COC(=O)c1cc(F)c(C#N)cc1F.COC(=O)c1cc(F)c(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
HPGD P15428 3/20 0.43
KDM4E B2RXH2 6/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TRPV4 Q9HBA0 1/20 0.41
ALDH1A1 P00352 6/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL410466 0.97 GAA (0.48) GAAHPGDKDM4ELMNAMAPT
SCHEMBL5356658 0.88 GAA (0.49) GAAHPGDKDM4ELMNAMAPT
SCHEMBL410165 0.84 ALPL (0.45) GAAHPGDKDM4ELMNAMAPT
SCHEMBL20496754 0.84 GAA (0.49) GAAHPGDKDM4ELMNAMAPT
SCHEMBL29046572 0.84 GAA (0.46) GAAHPGDKDM4ELMNAMAPT
SCHEMBL2772574 0.83 GAA (0.44) GAAHPGDKDM4ELMNAMAPT
SCHEMBL31432452 0.83 GAA (0.48) GAAHPGDKDM4ELMNAMAPT
SCHEMBL2806797 0.83 GAA (0.48) GAAHPGDKDM4ELMNAMAPT
SCHEMBL2428608 0.83 GAA (0.44) GAAHPGDKDM4ELMNAMAPT
SCHEMBL2427460 0.83 KDM4E (0.44) GAAHPGDKDM4ELMNAMAPT

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-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 WO disclosed