SCHEMBL27520995

SCHEMBL27520995

CC(C)c1cc(-n2ncc(C(F)(F)F)cc2=O)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.34
NPBWR1 P48145 4/20 0.33
MCHR1 Q99705 3/20 0.33
PDE2A O00408 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1I2 O75469 1/20 0.33
CETP P11597 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL4679229 0.87 GAA (0.38) GAAATML3MBTL1KMT2APDE2A
SCHEMBL27412348 0.85 GAA (0.31) GAAATM
SCHEMBL7532202 0.82 PPOX (0.44) GAAATMKMT2ANPBWR1MCHR1
SCHEMBL4683040 0.82 GAA (0.34) GAAATML3MBTL1KMT2AKDM4E
SCHEMBL5388413 0.81 GAA (0.37) GAAATML3MBTL1KMT2ANPBWR1
SCHEMBL6794821 0.81 PPOX (0.44) GAAATML3MBTL1KMT2ANPBWR1
SCHEMBL4682095 0.79 PKM (0.34) GAAATML3MBTL1KMT2ASMN1; SMN2
SCHEMBL27413652 0.79 DHODH (0.35) GAAATMNPBWR1MCHR1PDE2A
SCHEMBL4680432 0.78 PPARG (0.41) KDM4EALDH1A1
SCHEMBL4682067 0.78 SMN1; SMN2 (0.35) GAAATMKMT2ASMN1; SMN2KDM4E

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
CN-1262536-C Production of pyridazine herbicides SUMITOMO CHEMICAL CO (JP) 2006-07-05 CN disclosed
CN-1241175-A Production of pyridazine herbicides SUMITOMO CHEMICAL CO (JP) 2000-01-12 CN disclosed