SCHEMBL5216501

SCHEMBL5216501

O=C(O)Oc1cnncc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 1/20 0.36
MAOB P27338 1/20 0.32
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
PPARG P37231 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5254076 0.83 ASPH (0.32) ASPH
SCHEMBL5215635 0.80 KDM4E (0.38) ASPH
SCHEMBL8008655 0.77 SSTR4 (0.42)
SCHEMBL2355586 0.74 ASPH (0.38) ASPHRXRARXRBRXRG
SCHEMBL667777 0.71 PPARG (0.51) MAOBRXRARXRBRXRGPPARG
SCHEMBL4923887 0.69 ASPH (0.56) ASPH
SCHEMBL5502758 0.69 DAO (0.32) MAOBRXRARXRBRXRGPPARG
SCHEMBL11435438 0.67 NPC1 (0.31)
SCHEMBL10934851 0.67 MRGPRX4 (0.41) MAOBRXRARXRBRXRGPPARG
SCHEMBL17644333 0.66 MGLL (0.33) ASPHL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763303-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF Bayer CropScience Aktiengesellschaft (DE) 2007-03-21 EP disclosed
WO-2006000333-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-01-05 WO disclosed