SCHEMBL7259098

SCHEMBL7259098

O=C(O)c1cnc(SCCC(F)=C(F)F)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 3/20 0.40
LMNA P02545 1/20 0.40
APEX1 P27695 1/20 0.40
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.33
USP7 Q93009 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR7 P34969 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL22576966 0.84 NPC1 (0.48) KDM4EPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL22577342 0.78 KDM4E (0.38) KDM4EPOLBLMNAALDH1A1
SCHEMBL22583929 0.78 KDM4E (0.38) KDM4EPOLBLMNAALDH1A1
SCHEMBL22583938 0.78 KDM4E (0.36) KDM4EPOLBLMNAALDH1A1
SCHEMBL22583878 0.78 KDM4E (0.36) KDM4EPOLBLMNAALDH1A1
SCHEMBL3477652 0.76 KDM4E (0.44) KDM4EPOLBLMNAAPEX1ALDH1A1
SCHEMBL22577174 0.76 HTR7 (0.36) KDM4EPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL22583821 0.76 KDM4E (0.35) KDM4EPOLBLMNAALDH1A1
SCHEMBL22583791 0.76 KDM4E (0.35) KDM4EPOLBLMNAALDH1A1CYP1A2
SCHEMBL22577069 0.76 KDM4E (0.41) KDM4EPOLBLMNAAPEX1ALDH1A1

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
WO-2003029231-A1 NEMATICIDAL TRIFLUOROBUTENE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-04-10 WO disclosed