SCHEMBL6979397

SCHEMBL6979397

O=C1NNC(=O)C(c2ccccc2)(c2ccccc2)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
PTGER3 P43115 1/20 0.39
CYP2C9 P11712 2/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
CACNA1F O60840 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
CACNA1D Q01668 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38

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
SCHEMBL11263455 0.83 PTGER3 (0.50) CFTRGOPCPTGER3CYP2C9BLM
SCHEMBL7635908 0.71 CFTR (0.56) CFTRGOPCCYP2C9BLMPMP22
SCHEMBL10608591 0.69 CFTR (0.55) CFTRGOPCPTGER3ALDH1A1MAPT
SCHEMBL9304904 0.69 CFTR (0.54) CFTRGOPCCYP2C9BLMPMP22
SCHEMBL5137124 0.66 CYP2C9 (0.43) CYP2C9BLMPMP22ALDH1A1MAPT
SCHEMBL6237090 0.64 MMP2 (0.47) CFTRGOPCPTGER3CYP2C9BLM
SCHEMBL28548234 0.63 HCAR2 (0.53) CFTRGOPCALDH1A1MMP2MMP9
SCHEMBL10029374 0.63 CFTR (0.52) CFTRGOPCCYP2C9ALDH1A1MAPT
SCHEMBL3886398 0.61 CFTR (1.00) CFTRGOPCBLMALDH1A1MAPT
SCHEMBL6026158 0.61 CFTR (0.50) CFTRGOPCCYP2C9ALDH1A1MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891341-B1 1,3,4-OXADIAZINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AG (DE) 2003-01-02 EP claimed
US-6127364-A ANTHELMINTHICS, INSECTICIDES, ACARICIDES, AND NEMATICIDES. BAYER AKTIENGESELLSCHAFT (DE) 2000-10-03 US claimed
EP-0891341-A1 1,3,4-OXADIAZINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AG (DE) 1999-01-20 EP claimed
WO-1997036883-A1 1,3,4-OXADIAZINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-09 WO claimed
EP-0891341-B1 1,3,4-OXADIAZINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AG (DE) 2003-01-02 EP disclosed
EP-0891341-B1 1,3,4-OXADIAZINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AG (DE) 2003-01-02 EP disclosed
US-6414158-B1 INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
US-6342599-B1 REACTING SPECIFIED OXADIAZINE DERIVATIVES WITH ALKYLATING OR ACYLATING AGENTS, OR ALDEHYDES OR KETONES, OR THIONYLATING REAGENTS, IN PRESENCE OF DILUENT AND REACTION AUXILIARY IF REQUIRED BAYER AKTIENGESELLSCHAFT (DE) 2002-01-29 US disclosed
US-6127364-A ANTHELMINTHICS, INSECTICIDES, ACARICIDES, AND NEMATICIDES. BAYER AKTIENGESELLSCHAFT (DE) 2000-10-03 US disclosed
EP-0891341-A1 1,3,4-OXADIAZINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AG (DE) 1999-01-20 EP disclosed
EP-0891341-A1 1,3,4-OXADIAZINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AG (DE) 1999-01-20 EP disclosed
WO-1997036883-A1 1,3,4-OXADIAZINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-09 WO disclosed
WO-1997036883-A1 1,3,4-OXADIAZINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-09 WO disclosed