SCHEMBL9568798

SCHEMBL9568798

O=C(O)c1cn(C(F)F)c(=O)s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 9/20 0.40
PTGS2 P35354 8/20 0.38
GPR35 Q9HC97 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 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
SCHEMBL9254576 0.82 LMNA (0.37) PTGS2KDM4EMEN1ALDH1A1MAPT
SCHEMBL9093660 0.69 PTGS2 (0.33) PTGS2
SCHEMBL7772116 0.65 PTGS2 (0.31) PTGS2
SCHEMBL1852937 0.61 PTGS2 (0.57) PTGS2
SCHEMBL8630679 0.57 DAO (1.00) DAOKDM4EMEN1ALDH1A1KMT2A
SCHEMBL70493 0.56 DAO (0.67) DAOGPR35KDM4EMEN1ALDH1A1
SCHEMBL31507979 0.55 HCAR2 (0.52) DAOGPR35KDM4EALDH1A1MAPT
SCHEMBL3429520 0.55 DAO (0.38) DAOPTGS2GPR35KDM4EMEN1
SCHEMBL9568757 0.54
SCHEMBL19987844 0.54 DAO (0.64) DAOGPR35KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556123-A1 Pyrethrinoid esters of thiazolylalcohols, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-08-18 EP disclosed