SCHEMBL1114403

SCHEMBL1114403

Oc1c(Br)cc(C2N=CON2Cc2cccc(C(F)(F)F)c2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 5/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
MAPK10 P53779 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 1/20 0.35
ACP3 P15309 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL12644446 0.69 TAAR1 (0.56) KDM4EALDH1A1GAALMNAMAPT
SCHEMBL1114402 0.67 ALDH1A1 (0.41) TEAD1KDM4EALDH1A1GAAPOLB
SCHEMBL3237564 0.61 TAAR1 (0.64) KDM4EALDH1A1GAALMNAMAPT
SCHEMBL9820666 0.60 MEN1 (0.55) ALDH1A1GAALMNAMAPTSMN1; SMN2
SCHEMBL13731334 0.60 HTR2C (0.47) ACP3
SCHEMBL2917906 0.60 KDM4E (0.63) TEAD1KDM4EALDH1A1GAALMNA
SCHEMBL24214370 0.60 ALDH1A1 (0.55) KDM4EALDH1A1GAAPOLBLMNA
SCHEMBL30376503 0.60 ALDH1A1 (0.55) KDM4EALDH1A1GAAPOLBLMNA
SCHEMBL46757 0.60 HTR2A (0.63) KDM4EALDH1A1GAALMNAMAPT
SCHEMBL30370404 0.60 TAAR1 (0.53) KDM4EALDH1A1GAAACP3

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