SCHEMBL8303635

SCHEMBL8303635

Cn1cc(-n2nn[nH]c2=O)c(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SGK1 O00141 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL8303900 0.78 MAPT (0.36) PRMT5WDR77LMNAPOLBGAA
SCHEMBL8307265 0.77 ADORA2A (0.32)
SCHEMBL8302489 0.75 NFE2L2 (0.32)
SCHEMBL8687515 0.71 TRPC5 (0.38) POLBHTTALDH1A1L3MBTL1
SCHEMBL8521551 0.71
SCHEMBL8305093 0.70 KDM4E (0.32) LMNA
SCHEMBL8308632 0.69
SCHEMBL8302418 0.68 KDM4E (0.33) CYP2C19LMNACYP1A2SMN1; SMN2
SCHEMBL5906193 0.68 MAPT (0.48) CYP2C19CYP3A4LMNAPOLBCYP1A2
SCHEMBL8308505 0.68 PRMT5 (0.38) PRMT5WDR77ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed